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

Systemtic Name: 2-methylpropyl 6-[4-[(3-cyanophenyl)carbamoylamino]phenyl]-4-methyl-2-oxidanylidene-3-propyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: isobutyl 6-[4-[(3-cyanophenyl)carbamoylamino]phenyl]-4-methyl-2-oxo-3-propyl-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-[4-[[(3-cyanoanilino)-oxomethyl]amino]phenyl]-4-methyl-2-oxo-3-propyl-1,6-dihydropyrimidine-5-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 6-[4-[(3-cyanophenyl)carbamoylamino]phenyl]-4-methyl-2-oxo-3-propyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-[4-[(3-cyanophenyl)carbamoylamino]phenyl]-2-keto-4-methyl-3-propyl-1,6-dihydropyrimidine-5-carboxylic acid isobutyl ester Formula: C27H31N5O4 MolecularWeight: 489.56614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31N5O4/c1-5-13-32-18(4)23(25(33)36-16-17(2)3)24(31-27(32)35)20-9-11-21(12-10-20)29-26(34)30-22-8-6-7-19(14-22)15-28/h6-12,14,17,24H,5,13,16H2,1-4H3,(H,31,35)(H2,29,30,34)