9-phenyl-8-(pyridin-4-ylmethylsulfanyl)-3H-purin-6-one

Systemtic Name: 9-phenyl-8-(pyridin-4-ylmethylsulfanyl)-3H-purin-6-one Openeye Name: 9-phenyl-8-(4-pyridylmethylsulfanyl)-3H-purin-6-one CAS Name: 9-phenyl-8-(pyridin-4-ylmethylthio)-3H-purin-6-one IUPAC Name: 9-phenyl-8-(pyridin-4-ylmethylsulfanyl)-3H-purin-6-one Traditional Name: 9-phenyl-8-(4-pyridylmethylthio)-3H-purin-6-one Formula: C17H13N5OS MolecularWeight: 335.38302

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C(=O)N=CN3)N=C2SCC4=CC=NC=C4

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C(=O)N=CN3)N=C2SCC4=CC=NC=C4

InChI

InChI=1S/C17H13N5OS/c23-16-14-15(19-11-20-16)22(13-4-2-1-3-5-13)17(21-14)24-10-12-6-8-18-9-7-12/h1-9,11H,10H2,(H,19,20,23)