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

Systemtic Name: 9-(4-methylphenyl)-8-(pyridin-3-ylmethylsulfanyl)-3H-purin-6-one Openeye Name: 9-(p-tolyl)-8-(3-pyridylmethylsulfanyl)-3H-purin-6-one CAS Name: 9-(4-methylphenyl)-8-(3-pyridinylmethylthio)-3H-purin-6-one IUPAC Name: 9-(4-methylphenyl)-8-(pyridin-3-ylmethylsulfanyl)-3H-purin-6-one Traditional Name: 9-(p-tolyl)-8-(3-pyridylmethylthio)-3H-purin-6-one Formula: C18H15N5OS MolecularWeight: 349.4096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=C(C(=O)N=CN3)N=C2SCC4=CN=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=C(C(=O)N=CN3)N=C2SCC4=CN=CC=C4

InChI

InChI=1S/C18H15N5OS/c1-12-4-6-14(7-5-12)23-16-15(17(24)21-11-20-16)22-18(23)25-10-13-3-2-8-19-9-13/h2-9,11H,10H2,1H3,(H,20,21,24)