ethyl 6-[4-[(3-chloranyl-4-fluoranyl-phenyl)carbamoylamino]phenyl]-2-oxidanylidene-4-phenyl-3-propyl-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 6-[4-[(3-chloranyl-4-fluoranyl-phenyl)carbamoylamino]phenyl]-2-oxidanylidene-4-phenyl-3-propyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 6-[4-[(3-chloro-4-fluoro-phenyl)carbamoylamino]phenyl]-2-oxo-4-phenyl-3-propyl-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-[4-[[(3-chloro-4-fluoroanilino)-oxomethyl]amino]phenyl]-2-oxo-4-phenyl-3-propyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[4-[(3-chloro-4-fluorophenyl)carbamoylamino]phenyl]-2-oxo-4-phenyl-3-propyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-[4-[(3-chloro-4-fluoro-phenyl)carbamoylamino]phenyl]-2-keto-4-phenyl-3-propyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C29H28ClFN4O4 MolecularWeight: 551.008423

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(NC1=O)C2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)F)Cl)C(=O)OCC)C4=CC=CC=C4

Isomeric SMILES

CCCN1C(=C(C(NC1=O)C2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)F)Cl)C(=O)OCC)C4=CC=CC=C4

InChI

InChI=1S/C29H28ClFN4O4/c1-3-16-35-26(19-8-6-5-7-9-19)24(27(36)39-4-2)25(34-29(35)38)18-10-12-20(13-11-18)32-28(37)33-21-14-15-23(31)22(30)17-21/h5-15,17,25H,3-4,16H2,1-2H3,(H,34,38)(H2,32,33,37)