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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H33ClN4O4/c1-6-12-32-18(5)23(25(33)36-15-16(2)3)24(31-27(32)35)19-8-7-9-20(13-19)29-26(34)30-21-11-10-17(4)22(28)14-21/h7-11,13-14,16,24H,6,12,15H2,1-5H3,(H,31,35)(H2,29,30,34)