6-azanyl-1-(4-methylphenyl)-2-(phenylmethylsulfanyl)pyrimidin-4-one

Systemtic Name: 6-azanyl-1-(4-methylphenyl)-2-(phenylmethylsulfanyl)pyrimidin-4-one Openeye Name: 6-amino-2-benzylsulfanyl-1-(p-tolyl)pyrimidin-4-one CAS Name: 6-amino-1-(4-methylphenyl)-2-(phenylmethylthio)-4-pyrimidinone IUPAC Name: 6-amino-2-benzylsulfanyl-1-(4-methylphenyl)pyrimidin-4-one Traditional Name: 6-amino-2-(benzylthio)-1-(p-tolyl)pyrimidin-4-one Formula: C18H17N3OS MolecularWeight: 323.41208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=O)N=C2SCC3=CC=CC=C3)N

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=O)N=C2SCC3=CC=CC=C3)N

InChI

InChI=1S/C18H17N3OS/c1-13-7-9-15(10-8-13)21-16(19)11-17(22)20-18(21)23-12-14-5-3-2-4-6-14/h2-11H,12,19H2,1H3