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

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

CCC1=CC=C(C=C1)N2C(=NC3=C(C2=O)C(=NC(=N3)C)N)C4=CC=C(C=C4)SC

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=NC3=C(C2=O)C(=NC(=N3)C)N)C4=CC=C(C=C4)SC

InChI

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