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

Systemtic Name: methyl (6R)-6-[4-(2,2-dimethylpropanoylamino)phenyl]-3,4-diethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (6R)-6-[4-(2,2-dimethylpropanoylamino)phenyl]-3,4-diethyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6R)-6-[4-[(2,2-dimethyl-1-oxopropyl)amino]phenyl]-3,4-diethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (6R)-6-[4-(2,2-dimethylpropanoylamino)phenyl]-3,4-diethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6R)-3,4-diethyl-6-[4-(pivaloylamino)phenyl]-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C21H29N3O3S MolecularWeight: 403.53826

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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)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O3S/c1-7-15-16(18(25)27-6)17(23-20(28)24(15)8-2)13-9-11-14(12-10-13)22-19(26)21(3,4)5/h9-12,17H,7-8H2,1-6H3,(H,22,26)(H,23,28)/t17-/m1/s1