[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 4-methyl-6-methylsulfanyl-2-thiophen-2-yl-pyrimidine-5-carboxylate

Systemtic Name: [2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 4-methyl-6-methylsulfanyl-2-thiophen-2-yl-pyrimidine-5-carboxylate Openeye Name: [2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] 4-methyl-6-methylsulfanyl-2-(2-thienyl)pyrimidine-5-carboxylate CAS Name: 4-methyl-6-(methylthio)-2-thiophen-2-yl-5-pyrimidinecarboxylic acid [2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 4-methyl-6-methylsulfanyl-2-thiophen-2-ylpyrimidine-5-carboxylate Traditional Name: 4-methyl-6-(methylthio)-2-(2-thienyl)pyrimidine-5-carboxylic acid [2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C24H25N3O5S2 MolecularWeight: 499.6024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CS2)SC)C(=O)OCC(=O)N3CCC4=CC(=C(C=C4C3)OC)OC

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CS2)SC)C(=O)OCC(=O)N3CCC4=CC(=C(C=C4C3)OC)OC

InChI

InChI=1S/C24H25N3O5S2/c1-14-21(23(33-4)26-22(25-14)19-6-5-9-34-19)24(29)32-13-20(28)27-8-7-15-10-17(30-2)18(31-3)11-16(15)12-27/h5-6,9-11H,7-8,12-13H2,1-4H3