Chemical Components in the PDB

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5V7 : Summary

Code

5V7

One-letter code

X

Molecule name

8-(2-azanyl-1,3-thiazol-4-yl)-3~{H}-pyrido[3,4-d]pyrimidin-4-one

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.4 8-(2-azanyl-1,3-thiazol-4-yl)-3~{H}-pyrido[3,4-d]pyrimidin-4-one

Formula

C10 H7 N5 O S

Formal charge

0

Molecular weight

245.26 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Nc1scc(n1)c2nccc3C(=O)NC=Nc23
SMILES OpenEye OEToolkits 2.0.4 c1cnc(c2c1C(=O)NC=N2)c3csc(n3)N
Canonical SMILES CACTVS 3.385 Nc1scc(n1)c2nccc3C(=O)NC=Nc23
Canonical SMILES OpenEye OEToolkits 2.0.4 c1cnc(c2c1C(=O)NC=N2)c3csc(n3)N

IUPAC InChI

InChI=1S/C10H7N5OS/c11-10-15-6(3-17-10)8-7-5(1-2-12-8)9(16)14-4-13-7/h1-4H,(H2,11,15)(H,13,14,16)

IUPAC InChI key

JEHSMTZNFSEDBY-UHFFFAOYSA-N
5V7

wwPDB Information

Atom count

24 (17 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2015-12-07

Last modified at

2016-01-15

Status

Released

Obsoleted

Not Assigned