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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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