methyl 6-[3-[(4-butylphenyl)carbonylamino]phenyl]-4-methyl-2-oxidanylidene-3-propyl-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl 6-[3-[(4-butylphenyl)carbonylamino]phenyl]-4-methyl-2-oxidanylidene-3-propyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 6-[3-[(4-butylbenzoyl)amino]phenyl]-4-methyl-2-oxo-3-propyl-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-[3-[[(4-butylphenyl)-oxomethyl]amino]phenyl]-4-methyl-2-oxo-3-propyl-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 6-[3-[(4-butylbenzoyl)amino]phenyl]-4-methyl-2-oxo-3-propyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-[3-[(4-butylbenzoyl)amino]phenyl]-2-keto-4-methyl-3-propyl-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C27H33N3O4 MolecularWeight: 463.56862

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C3C(=C(N(C(=O)N3)CCC)C)C(=O)OC

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C3C(=C(N(C(=O)N3)CCC)C)C(=O)OC

InChI

InChI=1S/C27H33N3O4/c1-5-7-9-19-12-14-20(15-13-19)25(31)28-22-11-8-10-21(17-22)24-23(26(32)34-4)18(3)30(16-6-2)27(33)29-24/h8,10-15,17,24H,5-7,9,16H2,1-4H3,(H,28,31)(H,29,33)