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

Systemtic Name: 5-azanyl-3-(3,4-dimethylphenyl)-7-methyl-2-(4-methylsulfanylphenyl)pyrimido[4,5-d]pyrimidin-4-one Openeye Name: 5-amino-3-(3,4-dimethylphenyl)-7-methyl-2-(4-methylsulfanylphenyl)pyrimido[4,5-d]pyrimidin-4-one CAS Name: 5-amino-3-(3,4-dimethylphenyl)-7-methyl-2-[4-(methylthio)phenyl]-4-pyrimido[4,5-d]pyrimidinone IUPAC Name: 5-amino-3-(3,4-dimethylphenyl)-7-methyl-2-(4-methylsulfanylphenyl)pyrimido[4,5-d]pyrimidin-4-one Traditional Name: 5-amino-3-(3,4-dimethylphenyl)-7-methyl-2-[4-(methylthio)phenyl]pyrimido[4,5-d]pyrimidin-4-one Formula: C22H21N5OS MolecularWeight: 403.50004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N5OS/c1-12-5-8-16(11-13(12)2)27-21(15-6-9-17(29-4)10-7-15)26-20-18(22(27)28)19(23)24-14(3)25-20/h5-11H,1-4H3,(H2,23,24,25)