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

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

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17N5OS/c27-19-17-18(22-13-26(20(17)28)16-8-2-1-3-9-16)23-21(24-19)25-11-10-14-6-4-5-7-15(14)12-25/h1-9,13H,10-12H2,(H,23,24,27)