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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=NC(=O)C4=C(N3)N=CN(C4=S)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=NC(=O)C4=C(N3)N=CN(C4=S)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C21H16ClN5OS/c22-15-5-7-16(8-6-15)27-12-23-18-17(20(27)29)19(28)25-21(24-18)26-10-9-13-3-1-2-4-14(13)11-26/h1-8,12H,9-11H2,(H,24,25,28)