ethyl (6R)-3-ethyl-4-methyl-6-[3-(2-methylpropanoylamino)phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl (6R)-3-ethyl-4-methyl-6-[3-(2-methylpropanoylamino)phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl (6R)-3-ethyl-4-methyl-6-[3-(2-methylpropanoylamino)phenyl]-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6R)-3-ethyl-4-methyl-6-[3-[(2-methyl-1-oxopropyl)amino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (6R)-3-ethyl-4-methyl-6-[3-(2-methylpropanoylamino)phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6R)-3-ethyl-6-[3-(isobutyrylamino)phenyl]-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C20H27N3O3S MolecularWeight: 389.51168

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=S)C2=CC(=CC=C2)NC(=O)C(C)C)C(=O)OCC)C

Isomeric SMILES

CCN1C(=C([C@H](NC1=S)C2=CC(=CC=C2)NC(=O)C(C)C)C(=O)OCC)C

InChI

InChI=1S/C20H27N3O3S/c1-6-23-13(5)16(19(25)26-7-2)17(22-20(23)27)14-9-8-10-15(11-14)21-18(24)12(3)4/h8-12,17H,6-7H2,1-5H3,(H,21,24)(H,22,27)/t17-/m1/s1