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

Systemtic Name: propan-2-yl 3-butyl-6-[3-[(3-chloranyl-4-methyl-phenyl)carbamoylamino]phenyl]-4-methyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: isopropyl 3-butyl-6-[3-[(3-chloro-4-methyl-phenyl)carbamoylamino]phenyl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-butyl-6-[3-[[(3-chloro-4-methylanilino)-oxomethyl]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-[(3-chloro-4-methylphenyl)carbamoylamino]phenyl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-butyl-6-[3-[(3-chloro-4-methyl-phenyl)carbamoylamino]phenyl]-2-keto-4-methyl-1,6-dihydropyrimidine-5-carboxylic acid isopropyl ester Formula: C27H33ClN4O4 MolecularWeight: 513.02832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(NC1=O)C2=CC(=CC=C2)NC(=O)NC3=CC(=C(C=C3)C)Cl)C(=O)OC(C)C)C

Isomeric SMILES

CCCCN1C(=C(C(NC1=O)C2=CC(=CC=C2)NC(=O)NC3=CC(=C(C=C3)C)Cl)C(=O)OC(C)C)C

InChI

InChI=1S/C27H33ClN4O4/c1-6-7-13-32-18(5)23(25(33)36-16(2)3)24(31-27(32)35)19-9-8-10-20(14-19)29-26(34)30-21-12-11-17(4)22(28)15-21/h8-12,14-16,24H,6-7,13H2,1-5H3,(H,31,35)(H2,29,30,34)