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JY4 : Summary
Code
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JY4
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One-letter code
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X
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Molecule name
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7,8-dimethoxy-1-methyl-2H-pyrazolo[3,4-c]cinnoline
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Systematic names
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Formula
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C12 H12 N4 O2
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Formal charge
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0
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Molecular weight
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244.249 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
c23c1c(cc(c(c1)OC)OC)nnc2nnc3C |
SMILES
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CACTVS |
3.385 |
COc1cc2nnc3n[nH]c(C)c3c2cc1OC |
SMILES
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OpenEye OEToolkits |
2.0.6 |
Cc1c2c3cc(c(cc3nnc2n[nH]1)OC)OC |
Canonical SMILES
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CACTVS |
3.385 |
COc1cc2nnc3n[nH]c(C)c3c2cc1OC |
Canonical SMILES
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OpenEye OEToolkits |
2.0.6 |
Cc1c2c3cc(c(cc3nnc2n[nH]1)OC)OC |
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IUPAC InChI | InChI=1S/C12H12N4O2/c1-6-11-7-4-9(17-2)10(18-3)5-8(7)14-16-12(11)15-13-6/h4-5H,1-3H3,(H,13,15,16) |
IUPAC InChI key | NOAZBIGPIKIKDQ-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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30 (18 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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2018-10-17
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Last modified at
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2019-01-04
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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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