pentyl (4R)-4-(2,5-dimethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: pentyl (4R)-4-(2,5-dimethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: pentyl (4R)-4-(2,5-dimethoxyphenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-4-(2,5-dimethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid pentyl ester IUPAC Name: pentyl (4R)-4-(2,5-dimethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-4-(2,5-dimethoxyphenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid amyl ester Formula: C19H26N2O4S MolecularWeight: 378.48574

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=C(NC(=S)NC1C2=C(C=CC(=C2)OC)OC)C

Isomeric SMILES

CCCCCOC(=O)C1=C(NC(=S)N[C@@H]1C2=C(C=CC(=C2)OC)OC)C

InChI

InChI=1S/C19H26N2O4S/c1-5-6-7-10-25-18(22)16-12(2)20-19(26)21-17(16)14-11-13(23-3)8-9-15(14)24-4/h8-9,11,17H,5-7,10H2,1-4H3,(H2,20,21,26)/t17-/m1/s1