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

Systemtic Name: 2-methylpropyl 3,4-dimethyl-2-sulfanylidene-6-[3-(2-thiophen-2-ylethanoylamino)phenyl]-1,6-dihydropyrimidine-5-carboxylate Openeye Name: isobutyl 3,4-dimethyl-6-[3-[[2-(2-thienyl)acetyl]amino]phenyl]-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3,4-dimethyl-6-[3-[(1-oxo-2-thiophen-2-ylethyl)amino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 3,4-dimethyl-2-sulfanylidene-6-[3-[(2-thiophen-2-ylacetyl)amino]phenyl]-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3,4-dimethyl-6-[3-[[2-(2-thienyl)acetyl]amino]phenyl]-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid isobutyl ester Formula: C23H27N3O3S2 MolecularWeight: 457.60878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1C)C2=CC(=CC=C2)NC(=O)CC3=CC=CS3)C(=O)OCC(C)C

Isomeric SMILES

CC1=C(C(NC(=S)N1C)C2=CC(=CC=C2)NC(=O)CC3=CC=CS3)C(=O)OCC(C)C

InChI

InChI=1S/C23H27N3O3S2/c1-14(2)13-29-22(28)20-15(3)26(4)23(30)25-21(20)16-7-5-8-17(11-16)24-19(27)12-18-9-6-10-31-18/h5-11,14,21H,12-13H2,1-4H3,(H,24,27)(H,25,30)