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

Systemtic Name: 1-(4-methoxyphenyl)-6-oxidanyl-2-sulfanylidene-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidin-4-one Openeye Name: 6-hydroxy-1-(4-methoxyphenyl)-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2-thioxo-pyrimidin-4-one CAS Name: 6-hydroxy-1-(4-methoxyphenyl)-2-sulfanylidene-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-4-pyrimidinone IUPAC Name: 6-hydroxy-1-(4-methoxyphenyl)-2-sulfanylidene-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidin-4-one Traditional Name: 6-hydroxy-1-(4-methoxyphenyl)-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2-thioxo-pyrimidin-4-one Formula: C20H19N3O3S MolecularWeight: 381.44816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=C(C(=O)NC2=S)C3C4=CC=CC=C4CCN3)O

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=C(C(=O)NC2=S)C3C4=CC=CC=C4CCN3)O

InChI

InChI=1S/C20H19N3O3S/c1-26-14-8-6-13(7-9-14)23-19(25)16(18(24)22-20(23)27)17-15-5-3-2-4-12(15)10-11-21-17/h2-9,17,21,25H,10-11H2,1H3,(H,22,24,27)