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

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

CCCCC1=CC=C(C=C1)N2C(=NC3=C(C2=O)C(=NC(=N3)C)N)C4=CC=C(C=C4)SC

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=NC3=C(C2=O)C(=NC(=N3)C)N)C4=CC=C(C=C4)SC

InChI

InChI=1S/C24H25N5OS/c1-4-5-6-16-7-11-18(12-8-16)29-23(17-9-13-19(31-3)14-10-17)28-22-20(24(29)30)21(25)26-15(2)27-22/h7-14H,4-6H2,1-3H3,(H2,25,26,27)