1-[7-methyl-3-(4-methylsulfanylphenyl)-4-oxidanylidene-2-phenyl-pyrimido[4,5-d]pyrimidin-5-yl]urea

Systemtic Name: 1-[7-methyl-3-(4-methylsulfanylphenyl)-4-oxidanylidene-2-phenyl-pyrimido[4,5-d]pyrimidin-5-yl]urea Openeye Name: [7-methyl-3-(4-methylsulfanylphenyl)-4-oxo-2-phenyl-pyrimido[4,5-d]pyrimidin-5-yl]urea CAS Name: [7-methyl-3-[4-(methylthio)phenyl]-4-oxo-2-phenyl-5-pyrimido[4,5-d]pyrimidinyl]urea IUPAC Name: [7-methyl-3-(4-methylsulfanylphenyl)-4-oxo-2-phenylpyrimido[4,5-d]pyrimidin-5-yl]urea Traditional Name: [4-keto-7-methyl-3-[4-(methylthio)phenyl]-2-phenyl-pyrimido[4,5-d]pyrimidin-5-yl]urea Formula: C21H18N6O2S MolecularWeight: 418.47162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N6O2S/c1-12-23-17-16(18(24-12)26-21(22)29)20(28)27(14-8-10-15(30-2)11-9-14)19(25-17)13-6-4-3-5-7-13/h3-11H,1-2H3,(H3,22,23,24,26,29)