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

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

CCC1=C(C(NC(=S)N1CC)C2=CC=C(C=C2)NC(=O)C(C)C)C(=O)OC

Isomeric SMILES

CCC1=C([C@H](NC(=S)N1CC)C2=CC=C(C=C2)NC(=O)C(C)C)C(=O)OC

InChI

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