5-azanyl-7-methyl-3-(4-methylphenyl)-2-(4-methylsulfanylphenyl)pyrimido[4,5-d]pyrimidin-4-one

Systemtic Name: 5-azanyl-7-methyl-3-(4-methylphenyl)-2-(4-methylsulfanylphenyl)pyrimido[4,5-d]pyrimidin-4-one Openeye Name: 5-amino-7-methyl-2-(4-methylsulfanylphenyl)-3-(p-tolyl)pyrimido[4,5-d]pyrimidin-4-one CAS Name: 5-amino-7-methyl-3-(4-methylphenyl)-2-[4-(methylthio)phenyl]-4-pyrimido[4,5-d]pyrimidinone IUPAC Name: 5-amino-7-methyl-3-(4-methylphenyl)-2-(4-methylsulfanylphenyl)pyrimido[4,5-d]pyrimidin-4-one Traditional Name: 5-amino-7-methyl-2-[4-(methylthio)phenyl]-3-(p-tolyl)pyrimido[4,5-d]pyrimidin-4-one Formula: C21H19N5OS MolecularWeight: 389.47346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NC3=C(C2=O)C(=NC(=N3)C)N)C4=CC=C(C=C4)SC

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NC3=C(C2=O)C(=NC(=N3)C)N)C4=CC=C(C=C4)SC

InChI

InChI=1S/C21H19N5OS/c1-12-4-8-15(9-5-12)26-20(14-6-10-16(28-3)11-7-14)25-19-17(21(26)27)18(22)23-13(2)24-19/h4-11H,1-3H3,(H2,22,23,24)