1-butyl-5-(2-ethanoyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl)-6-oxidanyl-2-sulfanylidene-pyrimidin-4-one

Systemtic Name: 1-butyl-5-(2-ethanoyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl)-6-oxidanyl-2-sulfanylidene-pyrimidin-4-one Openeye Name: 5-(2-acetyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl)-1-butyl-6-hydroxy-2-thioxo-pyrimidin-4-one CAS Name: 5-(2-acetyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl)-1-butyl-6-hydroxy-2-sulfanylidene-4-pyrimidinone IUPAC Name: 5-(2-acetyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl)-1-butyl-6-hydroxy-2-sulfanylidenepyrimidin-4-one Traditional Name: 5-(2-acetyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl)-1-butyl-6-hydroxy-2-thioxo-pyrimidin-4-one Formula: C21H27N3O5S MolecularWeight: 433.52118

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=S)C2C3=CC(=C(C=C3CCN2C(=O)C)OC)OC)O

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=S)C2C3=CC(=C(C=C3CCN2C(=O)C)OC)OC)O

InChI

InChI=1S/C21H27N3O5S/c1-5-6-8-24-20(27)17(19(26)22-21(24)30)18-14-11-16(29-4)15(28-3)10-13(14)7-9-23(18)12(2)25/h10-11,18,27H,5-9H2,1-4H3,(H,22,26,30)