ethyl 3-butyl-6-[3-[(3-chloranyl-2,2-dimethyl-propanoyl)amino]phenyl]-2-oxidanylidene-4-phenyl-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 3-butyl-6-[3-[(3-chloranyl-2,2-dimethyl-propanoyl)amino]phenyl]-2-oxidanylidene-4-phenyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-butyl-6-[3-[(3-chloro-2,2-dimethyl-propanoyl)amino]phenyl]-2-oxo-4-phenyl-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-butyl-6-[3-[(3-chloro-2,2-dimethyl-1-oxopropyl)amino]phenyl]-2-oxo-4-phenyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-butyl-6-[3-[(3-chloro-2,2-dimethylpropanoyl)amino]phenyl]-2-oxo-4-phenyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-butyl-6-[3-[(3-chloro-2,2-dimethyl-propanoyl)amino]phenyl]-2-keto-4-phenyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C28H34ClN3O4 MolecularWeight: 512.04026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(NC1=O)C2=CC(=CC=C2)NC(=O)C(C)(C)CCl)C(=O)OCC)C3=CC=CC=C3

Isomeric SMILES

CCCCN1C(=C(C(NC1=O)C2=CC(=CC=C2)NC(=O)C(C)(C)CCl)C(=O)OCC)C3=CC=CC=C3

InChI

InChI=1S/C28H34ClN3O4/c1-5-7-16-32-24(19-12-9-8-10-13-19)22(25(33)36-6-2)23(31-27(32)35)20-14-11-15-21(17-20)30-26(34)28(3,4)18-29/h8-15,17,23H,5-7,16,18H2,1-4H3,(H,30,34)(H,31,35)