2-methylpropyl (6R)-6-[4-(2,2-dimethylpropanoylamino)phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: 2-methylpropyl (6R)-6-[4-(2,2-dimethylpropanoylamino)phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: isobutyl (6R)-6-[4-(2,2-dimethylpropanoylamino)phenyl]-3,4-dimethyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6R)-6-[4-[(2,2-dimethyl-1-oxopropyl)amino]phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl (6R)-6-[4-(2,2-dimethylpropanoylamino)phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6R)-3,4-dimethyl-6-[4-(pivaloylamino)phenyl]-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid isobutyl ester Formula: C22H31N3O3S MolecularWeight: 417.56484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1C)C2=CC=C(C=C2)NC(=O)C(C)(C)C)C(=O)OCC(C)C

Isomeric SMILES

CC1=C([C@H](NC(=S)N1C)C2=CC=C(C=C2)NC(=O)C(C)(C)C)C(=O)OCC(C)C

InChI

InChI=1S/C22H31N3O3S/c1-13(2)12-28-19(26)17-14(3)25(7)21(29)24-18(17)15-8-10-16(11-9-15)23-20(27)22(4,5)6/h8-11,13,18H,12H2,1-7H3,(H,23,27)(H,24,29)/t18-/m1/s1