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

Systemtic Name: propan-2-yl 3-butyl-6-[3-[(3-cyanophenyl)carbamoylamino]phenyl]-4-methyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C27H31N5O4 MolecularWeight: 489.56614

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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)C)C

Isomeric SMILES

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

InChI

InChI=1S/C27H31N5O4/c1-5-6-13-32-18(4)23(25(33)36-17(2)3)24(31-27(32)35)20-10-8-12-22(15-20)30-26(34)29-21-11-7-9-19(14-21)16-28/h7-12,14-15,17,24H,5-6,13H2,1-4H3,(H,31,35)(H2,29,30,34)