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

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

CCOC(=O)C1=C(N(C(=S)NC1C2=CC(=CC=C2)NC(=O)C(C)(C)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=S)NC1C2=CC(=CC=C2)NC(=O)C(C)(C)C)C)C

InChI

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