6-azanyl-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-5-phenyl-1H-pyrimidin-4-one

Systemtic Name: 6-azanyl-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-5-phenyl-1H-pyrimidin-4-one Openeye Name: 6-amino-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]sulfanyl-5-phenyl-1H-pyrimidin-4-one CAS Name: 6-amino-2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]thio]-5-phenyl-1H-pyrimidin-4-one IUPAC Name: 6-amino-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanyl-5-phenyl-1H-pyrimidin-4-one Traditional Name: 6-amino-2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]thio]-5-phenyl-1H-pyrimidin-4-one Formula: C21H20N4O2S MolecularWeight: 392.4741

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CSC3=NC(=O)C(=C(N3)N)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CSC3=NC(=O)C(=C(N3)N)C4=CC=CC=C4

InChI

InChI=1S/C21H20N4O2S/c22-19-18(15-7-2-1-3-8-15)20(27)24-21(23-19)28-13-17(26)25-11-10-14-6-4-5-9-16(14)12-25/h1-9H,10-13H2,(H3,22,23,24,27)