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

Systemtic Name: 1-(2-ethoxyphenyl)-6-oxidanyl-2-sulfanylidene-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidin-4-one Openeye Name: 1-(2-ethoxyphenyl)-6-hydroxy-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2-thioxo-pyrimidin-4-one CAS Name: 1-(2-ethoxyphenyl)-6-hydroxy-2-sulfanylidene-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-4-pyrimidinone IUPAC Name: 1-(2-ethoxyphenyl)-6-hydroxy-2-sulfanylidene-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidin-4-one Traditional Name: 6-hydroxy-1-o-phenetyl-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2-thioxo-pyrimidin-4-one Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2C(=C(C(=O)NC2=S)C3C4=CC=CC=C4CCN3)O

Isomeric SMILES

CCOC1=CC=CC=C1N2C(=C(C(=O)NC2=S)C3C4=CC=CC=C4CCN3)O

InChI

InChI=1S/C21H21N3O3S/c1-2-27-16-10-6-5-9-15(16)24-20(26)17(19(25)23-21(24)28)18-14-8-4-3-7-13(14)11-12-22-18/h3-10,18,22,26H,2,11-12H2,1H3,(H,23,25,28)