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

Systemtic Name: 5-(2-ethanoyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl)-6-oxidanyl-1-prop-2-enyl-2-sulfanylidene-pyrimidin-4-one Openeye Name: 5-(2-acetyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl)-1-allyl-6-hydroxy-2-thioxo-pyrimidin-4-one CAS Name: 5-(2-acetyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl)-6-hydroxy-1-prop-2-enyl-2-sulfanylidene-4-pyrimidinone IUPAC Name: 5-(2-acetyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl)-6-hydroxy-1-prop-2-enyl-2-sulfanylidenepyrimidin-4-one Traditional Name: 5-(2-acetyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl)-1-allyl-6-hydroxy-2-thioxo-pyrimidin-4-one Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC2=CC(=C(C=C2C1C3=C(N(C(=S)NC3=O)CC=C)O)OC)OC

Isomeric SMILES

CC(=O)N1CCC2=CC(=C(C=C2C1C3=C(N(C(=S)NC3=O)CC=C)O)OC)OC

InChI

InChI=1S/C20H23N3O5S/c1-5-7-23-19(26)16(18(25)21-20(23)29)17-13-10-15(28-4)14(27-3)9-12(13)6-8-22(17)11(2)24/h5,9-10,17,26H,1,6-8H2,2-4H3,(H,21,25,29)