5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-1-(2-fluorophenyl)-6-oxidanyl-2-sulfanylidene-pyrimidin-4-one

Systemtic Name: 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-1-(2-fluorophenyl)-6-oxidanyl-2-sulfanylidene-pyrimidin-4-one Openeye Name: 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-1-(2-fluorophenyl)-6-hydroxy-2-thioxo-pyrimidin-4-one CAS Name: 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-1-(2-fluorophenyl)-6-hydroxy-2-sulfanylidene-4-pyrimidinone IUPAC Name: 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-1-(2-fluorophenyl)-6-hydroxy-2-sulfanylidenepyrimidin-4-one Traditional Name: 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-1-(2-fluorophenyl)-6-hydroxy-2-thioxo-pyrimidin-4-one Formula: C21H20FN3O4S MolecularWeight: 429.464603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(NCCC2=C1)C3=C(N(C(=S)NC3=O)C4=CC=CC=C4F)O)OC

Isomeric SMILES

COC1=C(C=C2C(NCCC2=C1)C3=C(N(C(=S)NC3=O)C4=CC=CC=C4F)O)OC

InChI

InChI=1S/C21H20FN3O4S/c1-28-15-9-11-7-8-23-18(12(11)10-16(15)29-2)17-19(26)24-21(30)25(20(17)27)14-6-4-3-5-13(14)22/h3-6,9-10,18,23,27H,7-8H2,1-2H3,(H,24,26,30)