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

Systemtic Name: 1-butan-2-yl-5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-oxidanyl-2-sulfanylidene-pyrimidin-4-one Openeye Name: 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-1-sec-butyl-2-thioxo-pyrimidin-4-one CAS Name: 1-butan-2-yl-5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-2-sulfanylidene-4-pyrimidinone IUPAC Name: 1-butan-2-yl-5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-2-sulfanylidenepyrimidin-4-one Traditional Name: 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-1-sec-butyl-2-thioxo-pyrimidin-4-one Formula: C19H25N3O4S MolecularWeight: 391.4845

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O4S/c1-5-10(2)22-18(24)15(17(23)21-19(22)27)16-12-9-14(26-4)13(25-3)8-11(12)6-7-20-16/h8-10,16,20,24H,5-7H2,1-4H3,(H,21,23,27)