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

Systemtic Name: methyl 3-butyl-6-[3-[(3-cyanophenyl)carbamoylamino]phenyl]-4-methyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 3-butyl-6-[3-[(3-cyanophenyl)carbamoylamino]phenyl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-butyl-6-[3-[[(3-cyanoanilino)-oxomethyl]amino]phenyl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 3-butyl-6-[3-[(3-cyanophenyl)carbamoylamino]phenyl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-butyl-6-[3-[(3-cyanophenyl)carbamoylamino]phenyl]-2-keto-4-methyl-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C25H27N5O4 MolecularWeight: 461.51298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27N5O4/c1-4-5-12-30-16(2)21(23(31)34-3)22(29-25(30)33)18-9-7-11-20(14-18)28-24(32)27-19-10-6-8-17(13-19)15-26/h6-11,13-14,22H,4-5,12H2,1-3H3,(H,29,33)(H2,27,28,32)