propan-2-yl 3-butyl-6-[3-[(2-chloranyl-2-phenyl-ethanoyl)amino]phenyl]-4-methyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: propan-2-yl 3-butyl-6-[3-[(2-chloranyl-2-phenyl-ethanoyl)amino]phenyl]-4-methyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: isopropyl 3-butyl-6-[3-[(2-chloro-2-phenyl-acetyl)amino]phenyl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-butyl-6-[3-[(2-chloro-1-oxo-2-phenylethyl)amino]phenyl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-butyl-6-[3-[(2-chloro-2-phenylacetyl)amino]phenyl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-butyl-6-[3-[(2-chloro-2-phenyl-acetyl)amino]phenyl]-2-keto-4-methyl-1,6-dihydropyrimidine-5-carboxylic acid isopropyl ester Formula: C27H32ClN3O4 MolecularWeight: 498.01368

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(NC1=O)C2=CC(=CC=C2)NC(=O)C(C3=CC=CC=C3)Cl)C(=O)OC(C)C)C

Isomeric SMILES

CCCCN1C(=C(C(NC1=O)C2=CC(=CC=C2)NC(=O)C(C3=CC=CC=C3)Cl)C(=O)OC(C)C)C

InChI

InChI=1S/C27H32ClN3O4/c1-5-6-15-31-18(4)22(26(33)35-17(2)3)24(30-27(31)34)20-13-10-14-21(16-20)29-25(32)23(28)19-11-8-7-9-12-19/h7-14,16-17,23-24H,5-6,15H2,1-4H3,(H,29,32)(H,30,34)