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ZYR : Summary
Code
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ZYR
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One-letter code
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X
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Molecule name
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5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE
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Systematic names
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Formula
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C10 H10 N2 O S
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Formal charge
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0
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Molecular weight
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206.264 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
O=C1c2c3c(sc2N=CN1)CCCC3 |
SMILES
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CACTVS |
3.352 |
O=C1NC=Nc2sc3CCCCc3c12 |
SMILES
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OpenEye OEToolkits |
1.6.1 |
C1CCc2c(c3c(s2)N=CNC3=O)C1 |
Canonical SMILES
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CACTVS |
3.352 |
O=C1NC=Nc2sc3CCCCc3c12 |
Canonical SMILES
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OpenEye OEToolkits |
1.6.1 |
C1CCc2c(c3c(s2)N=CNC3=O)C1 |
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IUPAC InChI | InChI=1S/C10H10N2OS/c13-9-8-6-3-1-2-4-7(6)14-10(8)12-5-11-9/h5H,1-4H2,(H,11,12,13) |
IUPAC InChI key | NMMOEJUJKIXUQZ-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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24 (14 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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2009-07-03
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Last modified at
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2011-06-04
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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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