N-[4-[2-[(4-chlorophenyl)amino]-5-cyano-4-oxidanylidene-1H-pyrimidin-6-yl]phenyl]-2-phenyl-butanamide

Systemtic Name: N-[4-[2-[(4-chlorophenyl)amino]-5-cyano-4-oxidanylidene-1H-pyrimidin-6-yl]phenyl]-2-phenyl-butanamide Openeye Name: N-[4-[2-(4-chloroanilino)-5-cyano-4-oxo-1H-pyrimidin-6-yl]phenyl]-2-phenyl-butanamide CAS Name: N-[4-[2-(4-chloroanilino)-5-cyano-4-oxo-1H-pyrimidin-6-yl]phenyl]-2-phenylbutanamide IUPAC Name: N-[4-[2-(4-chloroanilino)-5-cyano-4-oxo-1H-pyrimidin-6-yl]phenyl]-2-phenylbutanamide Traditional Name: N-[4-[2-(4-chloroanilino)-5-cyano-4-keto-1H-pyrimidin-6-yl]phenyl]-2-phenyl-butyramide Formula: C27H22ClN5O2 MolecularWeight: 483.94888

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)C3=C(C(=O)N=C(N3)NC4=CC=C(C=C4)Cl)C#N

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)C3=C(C(=O)N=C(N3)NC4=CC=C(C=C4)Cl)C#N

InChI

InChI=1S/C27H22ClN5O2/c1-2-22(17-6-4-3-5-7-17)25(34)30-20-12-8-18(9-13-20)24-23(16-29)26(35)33-27(32-24)31-21-14-10-19(28)11-15-21/h3-15,22H,2H2,1H3,(H,30,34)(H2,31,32,33,35)