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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O3S/c1-6-23-13(4)17(19(25)26-5)18(22-20(23)27)14-7-9-15(10-8-14)21-16(24)11-12(2)3/h7-10,12,18H,6,11H2,1-5H3,(H,21,24)(H,22,27)/t18-/m1/s1