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2-(quinolin-2-ylmethylsulfanyl)-1H-pteridin-4-one

2-(quinolin-2-ylmethylsulfanyl)-1H-pteridin-4-one

Systemtic Name:2-(quinolin-2-ylmethylsulfanyl)-1H-pteridin-4-one
Openeye Name:2-(2-quinolylmethylsulfanyl)-1H-pteridin-4-one
CAS Name:2-(2-quinolinylmethylthio)-1H-pteridin-4-one
IUPAC Name:2-(quinolin-2-ylmethylsulfanyl)-1H-pteridin-4-one
Traditional Name:2-(2-quinolylmethylthio)-1H-pteridin-4-one
Formula: C16H11N5OS
MolecularWeight: 321.35644
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)CSC3=NC(=O)C4=NC=CN=C4N3


Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)CSC3=NC(=O)C4=NC=CN=C4N3


InChI

InChI=1S/C16H11N5OS/c22-15-13-14(18-8-7-17-13)20-16(21-15)23-9-11-6-5-10-3-1-2-4-12(10)19-11/h1-8H,9H2,(H,18,20,21,22)


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