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

Systemtic Name: 2-(2-methyl-2,3-dihydroindol-1-yl)-6-phenyl-5-sulfanylidene-1H-pyrimido[4,5-d]pyrimidin-4-one Openeye Name: 2-(2-methylindolin-1-yl)-6-phenyl-5-thioxo-1H-pyrimido[4,5-d]pyrimidin-4-one CAS Name: 2-(2-methyl-2,3-dihydroindol-1-yl)-6-phenyl-5-sulfanylidene-1H-pyrimido[4,5-d]pyrimidin-4-one IUPAC Name: 2-(2-methyl-2,3-dihydroindol-1-yl)-6-phenyl-5-sulfanylidene-1H-pyrimido[4,5-d]pyrimidin-4-one Traditional Name: 2-(2-methylindolin-1-yl)-6-phenyl-5-thioxo-1H-pyrimido[4,5-d]pyrimidin-4-one Formula: C21H17N5OS MolecularWeight: 387.45758

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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=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C21H17N5OS/c1-13-11-14-7-5-6-10-16(14)26(13)21-23-18-17(19(27)24-21)20(28)25(12-22-18)15-8-3-2-4-9-15/h2-10,12-13H,11H2,1H3,(H,23,24,27)