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

Systemtic Name: 2-methoxyethyl 3,4-dimethyl-6-[4-(2-phenylbutanoylamino)phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: 2-methoxyethyl 3,4-dimethyl-6-[4-(2-phenylbutanoylamino)phenyl]-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3,4-dimethyl-6-[4-[(1-oxo-2-phenylbutyl)amino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 3,4-dimethyl-6-[4-(2-phenylbutanoylamino)phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3,4-dimethyl-6-[4-(2-phenylbutanoylamino)phenyl]-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester Formula: C26H31N3O4S MolecularWeight: 481.60704

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)C3C(=C(N(C(=S)N3)C)C)C(=O)OCCOC

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)C3C(=C(N(C(=S)N3)C)C)C(=O)OCCOC

InChI

InChI=1S/C26H31N3O4S/c1-5-21(18-9-7-6-8-10-18)24(30)27-20-13-11-19(12-14-20)23-22(25(31)33-16-15-32-4)17(2)29(3)26(34)28-23/h6-14,21,23H,5,15-16H2,1-4H3,(H,27,30)(H,28,34)