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

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-(2,4-dimethylphenyl)-5-sulfanylidene-1H-pyrimido[4,5-d]pyrimidin-4-one Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-(2,4-dimethylphenyl)-5-thioxo-1H-pyrimido[4,5-d]pyrimidin-4-one CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-(2,4-dimethylphenyl)-5-sulfanylidene-1H-pyrimido[4,5-d]pyrimidin-4-one IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-(2,4-dimethylphenyl)-5-sulfanylidene-1H-pyrimido[4,5-d]pyrimidin-4-one Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-(2,4-dimethylphenyl)-5-thioxo-1H-pyrimido[4,5-d]pyrimidin-4-one Formula: C23H21N5OS MolecularWeight: 415.51074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21N5OS/c1-14-7-8-18(15(2)11-14)28-13-24-20-19(22(28)30)21(29)26-23(25-20)27-10-9-16-5-3-4-6-17(16)12-27/h3-8,11,13H,9-10,12H2,1-2H3,(H,25,26,29)