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

Systemtic Name: ethyl (6R)-3,4-dimethyl-6-[3-(2-phenylethanoylamino)phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl (6R)-3,4-dimethyl-6-[3-[(2-phenylacetyl)amino]phenyl]-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6R)-3,4-dimethyl-6-[3-[(1-oxo-2-phenylethyl)amino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (6R)-3,4-dimethyl-6-[3-[(2-phenylacetyl)amino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6R)-3,4-dimethyl-6-[3-[(2-phenylacetyl)amino]phenyl]-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C23H25N3O3S MolecularWeight: 423.5279

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=S)NC1C2=CC(=CC=C2)NC(=O)CC3=CC=CC=C3)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=S)N[C@@H]1C2=CC(=CC=C2)NC(=O)CC3=CC=CC=C3)C)C

InChI

InChI=1S/C23H25N3O3S/c1-4-29-22(28)20-15(2)26(3)23(30)25-21(20)17-11-8-12-18(14-17)24-19(27)13-16-9-6-5-7-10-16/h5-12,14,21H,4,13H2,1-3H3,(H,24,27)(H,25,30)/t21-/m1/s1