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0EC : Summary
Code
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0EC
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One-letter code
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X
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Molecule name
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6,7-dimethoxy-2-(piperazin-1-yl)quinazolin-4-amine
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Systematic names
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Formula
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C14 H19 N5 O2
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Formal charge
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0
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Molecular weight
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289.333 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
n1c(N)c3c(nc1N2CCNCC2)cc(OC)c(OC)c3 |
SMILES
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CACTVS |
3.370 |
COc1cc2nc(nc(N)c2cc1OC)N3CCNCC3 |
SMILES
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OpenEye OEToolkits |
1.7.6 |
COc1cc2c(cc1OC)nc(nc2N)N3CCNCC3 |
Canonical SMILES
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CACTVS |
3.370 |
COc1cc2nc(nc(N)c2cc1OC)N3CCNCC3 |
Canonical SMILES
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OpenEye OEToolkits |
1.7.6 |
COc1cc2c(cc1OC)nc(nc2N)N3CCNCC3 |
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IUPAC InChI | InChI=1S/C14H19N5O2/c1-20-11-7-9-10(8-12(11)21-2)17-14(18-13(9)15)19-5-3-16-4-6-19/h7-8,16H,3-6H2,1-2H3,(H2,15,17,18) |
IUPAC InChI key | APKHJGDGWQDBGM-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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40 (21 without Hydrogen)
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Polymer type
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Bound ligand
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Type description
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NON-POLYMER
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Type code
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HETAIN
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Is modified
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No
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Standard parent
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Not Assigned
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Defined at
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2012-08-02
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Last modified at
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2012-08-24
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Status
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Released
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Obsoleted
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Not Assigned
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