6-(4-chlorophenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-5-sulfanylidene-1H-pyrimido[4,5-d]pyrimidin-4-one

Systemtic Name: 6-(4-chlorophenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-5-sulfanylidene-1H-pyrimido[4,5-d]pyrimidin-4-one Openeye Name: 6-(4-chlorophenyl)-2-(2-methylindolin-1-yl)-5-thioxo-1H-pyrimido[4,5-d]pyrimidin-4-one CAS Name: 6-(4-chlorophenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-5-sulfanylidene-1H-pyrimido[4,5-d]pyrimidin-4-one IUPAC Name: 6-(4-chlorophenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-5-sulfanylidene-1H-pyrimido[4,5-d]pyrimidin-4-one Traditional Name: 6-(4-chlorophenyl)-2-(2-methylindolin-1-yl)-5-thioxo-1H-pyrimido[4,5-d]pyrimidin-4-one Formula: C21H16ClN5OS MolecularWeight: 421.90264

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1C3=NC(=O)C4=C(N3)N=CN(C4=S)C5=CC=C(C=C5)Cl

Isomeric SMILES

CC1CC2=CC=CC=C2N1C3=NC(=O)C4=C(N3)N=CN(C4=S)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C21H16ClN5OS/c1-12-10-13-4-2-3-5-16(13)27(12)21-24-18-17(19(28)25-21)20(29)26(11-23-18)15-8-6-14(22)7-9-15/h2-9,11-12H,10H2,1H3,(H,24,25,28)