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

Systemtic Name: 5-azanyl-7-methyl-3-(4-methylsulfanylphenyl)-2-phenyl-pyrimido[4,5-d]pyrimidin-4-one Openeye Name: 5-amino-7-methyl-3-(4-methylsulfanylphenyl)-2-phenyl-pyrimido[4,5-d]pyrimidin-4-one CAS Name: 5-amino-7-methyl-3-[4-(methylthio)phenyl]-2-phenyl-4-pyrimido[4,5-d]pyrimidinone IUPAC Name: 5-amino-7-methyl-3-(4-methylsulfanylphenyl)-2-phenylpyrimido[4,5-d]pyrimidin-4-one Traditional Name: 5-amino-7-methyl-3-[4-(methylthio)phenyl]-2-phenyl-pyrimido[4,5-d]pyrimidin-4-one Formula: C20H17N5OS MolecularWeight: 375.44688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N5OS/c1-12-22-17(21)16-18(23-12)24-19(13-6-4-3-5-7-13)25(20(16)26)14-8-10-15(27-2)11-9-14/h3-11H,1-2H3,(H2,21,22,23)