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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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