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

Systemtic Name: ethyl 6-[4-[(3-chloranyl-4-fluoranyl-phenyl)carbamoylamino]phenyl]-4-methyl-2-oxidanylidene-3-propyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 6-[4-[(3-chloro-4-fluoro-phenyl)carbamoylamino]phenyl]-4-methyl-2-oxo-3-propyl-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-[4-[[(3-chloro-4-fluoroanilino)-oxomethyl]amino]phenyl]-4-methyl-2-oxo-3-propyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[4-[(3-chloro-4-fluorophenyl)carbamoylamino]phenyl]-4-methyl-2-oxo-3-propyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-[4-[(3-chloro-4-fluoro-phenyl)carbamoylamino]phenyl]-2-keto-4-methyl-3-propyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C24H26ClFN4O4 MolecularWeight: 488.939043

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C24H26ClFN4O4/c1-4-12-30-14(3)20(22(31)34-5-2)21(29-24(30)33)15-6-8-16(9-7-15)27-23(32)28-17-10-11-19(26)18(25)13-17/h6-11,13,21H,4-5,12H2,1-3H3,(H,29,33)(H2,27,28,32)