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

Systemtic Name: 5-azanyl-3-(4-methylphenyl)-2-(4-methylsulfanylphenyl)-7-phenyl-pyrimido[4,5-d]pyrimidin-4-one Openeye Name: 5-amino-2-(4-methylsulfanylphenyl)-7-phenyl-3-(p-tolyl)pyrimido[4,5-d]pyrimidin-4-one CAS Name: 5-amino-3-(4-methylphenyl)-2-[4-(methylthio)phenyl]-7-phenyl-4-pyrimido[4,5-d]pyrimidinone IUPAC Name: 5-amino-3-(4-methylphenyl)-2-(4-methylsulfanylphenyl)-7-phenylpyrimido[4,5-d]pyrimidin-4-one Traditional Name: 5-amino-2-[4-(methylthio)phenyl]-7-phenyl-3-(p-tolyl)pyrimido[4,5-d]pyrimidin-4-one Formula: C26H21N5OS MolecularWeight: 451.54284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NC3=C(C2=O)C(=NC(=N3)C4=CC=CC=C4)N)C5=CC=C(C=C5)SC

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NC3=C(C2=O)C(=NC(=N3)C4=CC=CC=C4)N)C5=CC=C(C=C5)SC

InChI

InChI=1S/C26H21N5OS/c1-16-8-12-19(13-9-16)31-25(18-10-14-20(33-2)15-11-18)30-24-21(26(31)32)22(27)28-23(29-24)17-6-4-3-5-7-17/h3-15H,1-2H3,(H2,27,28,29)