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

Systemtic Name: 1-butan-2-yl-6-oxidanyl-2-sulfanylidene-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidin-4-one Openeye Name: 6-hydroxy-1-sec-butyl-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2-thioxo-pyrimidin-4-one CAS Name: 1-butan-2-yl-6-hydroxy-2-sulfanylidene-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-4-pyrimidinone IUPAC Name: 1-butan-2-yl-6-hydroxy-2-sulfanylidene-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pyrimidin-4-one Traditional Name: 6-hydroxy-1-sec-butyl-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)-2-thioxo-pyrimidin-4-one Formula: C17H21N3O2S MolecularWeight: 331.43254

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=C(C(=O)NC1=S)C2C3=CC=CC=C3CCN2)O

Isomeric SMILES

CCC(C)N1C(=C(C(=O)NC1=S)C2C3=CC=CC=C3CCN2)O

InChI

InChI=1S/C17H21N3O2S/c1-3-10(2)20-16(22)13(15(21)19-17(20)23)14-12-7-5-4-6-11(12)8-9-18-14/h4-7,10,14,18,22H,3,8-9H2,1-2H3,(H,19,21,23)