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

Systemtic Name: 2-methoxyethyl 6-[3-(3,3-dimethylbutanoylamino)phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: 2-methoxyethyl 6-[3-(3,3-dimethylbutanoylamino)phenyl]-3,4-dimethyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-[3-[(3,3-dimethyl-1-oxobutyl)amino]phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 6-[3-(3,3-dimethylbutanoylamino)phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-[3-(3,3-dimethylbutanoylamino)phenyl]-3,4-dimethyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester Formula: C22H31N3O4S MolecularWeight: 433.56424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N3O4S/c1-14-18(20(27)29-11-10-28-6)19(24-21(30)25(14)5)15-8-7-9-16(12-15)23-17(26)13-22(2,3)4/h7-9,12,19H,10-11,13H2,1-6H3,(H,23,26)(H,24,30)