2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-(3-methylphenyl)-5-sulfanylidene-1H-pyrimido[4,5-d]pyrimidin-4-one

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-(3-methylphenyl)-5-sulfanylidene-1H-pyrimido[4,5-d]pyrimidin-4-one Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-(m-tolyl)-5-thioxo-1H-pyrimido[4,5-d]pyrimidin-4-one CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-(3-methylphenyl)-5-sulfanylidene-1H-pyrimido[4,5-d]pyrimidin-4-one IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-(3-methylphenyl)-5-sulfanylidene-1H-pyrimido[4,5-d]pyrimidin-4-one Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-(m-tolyl)-5-thioxo-1H-pyrimido[4,5-d]pyrimidin-4-one Formula: C22H19N5OS MolecularWeight: 401.48416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C=NC3=C(C2=S)C(=O)N=C(N3)N4CCC5=CC=CC=C5C4

Isomeric SMILES

CC1=CC(=CC=C1)N2C=NC3=C(C2=S)C(=O)N=C(N3)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C22H19N5OS/c1-14-5-4-8-17(11-14)27-13-23-19-18(21(27)29)20(28)25-22(24-19)26-10-9-15-6-2-3-7-16(15)12-26/h2-8,11,13H,9-10,12H2,1H3,(H,24,25,28)