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

Systemtic Name: 5-azanyl-3-(4-tert-butylphenyl)-7-methyl-2-(4-methylsulfanylphenyl)pyrimido[4,5-d]pyrimidin-4-one Openeye Name: 5-amino-3-(4-tert-butylphenyl)-7-methyl-2-(4-methylsulfanylphenyl)pyrimido[4,5-d]pyrimidin-4-one CAS Name: 5-amino-3-(4-tert-butylphenyl)-7-methyl-2-[4-(methylthio)phenyl]-4-pyrimido[4,5-d]pyrimidinone IUPAC Name: 5-amino-3-(4-tert-butylphenyl)-7-methyl-2-(4-methylsulfanylphenyl)pyrimido[4,5-d]pyrimidin-4-one Traditional Name: 5-amino-3-(4-tert-butylphenyl)-7-methyl-2-[4-(methylthio)phenyl]pyrimido[4,5-d]pyrimidin-4-one Formula: C24H25N5OS MolecularWeight: 431.5532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=N1)N)C(=O)N(C(=N2)C3=CC=C(C=C3)SC)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC1=NC2=C(C(=N1)N)C(=O)N(C(=N2)C3=CC=C(C=C3)SC)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C24H25N5OS/c1-14-26-20(25)19-21(27-14)28-22(15-6-12-18(31-5)13-7-15)29(23(19)30)17-10-8-16(9-11-17)24(2,3)4/h6-13H,1-5H3,(H2,25,26,27)