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

Systemtic Name: N-[4-[2-[(4-chlorophenyl)amino]-5-cyano-4-oxidanylidene-1H-pyrimidin-6-yl]phenyl]-2-oxidanylidene-butanamide Openeye Name: N-[4-[2-(4-chloroanilino)-5-cyano-4-oxo-1H-pyrimidin-6-yl]phenyl]-2-oxo-butanamide CAS Name: N-[4-[2-(4-chloroanilino)-5-cyano-4-oxo-1H-pyrimidin-6-yl]phenyl]-2-oxobutanamide IUPAC Name: N-[4-[2-(4-chloroanilino)-5-cyano-4-oxo-1H-pyrimidin-6-yl]phenyl]-2-oxobutanamide Traditional Name: N-[4-[2-(4-chloroanilino)-5-cyano-4-keto-1H-pyrimidin-6-yl]phenyl]-2-keto-butyramide Formula: C21H16ClN5O3 MolecularWeight: 421.83644

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(=O)NC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)NC3=CC=C(C=C3)Cl)C#N

Isomeric SMILES

CCC(=O)C(=O)NC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)NC3=CC=C(C=C3)Cl)C#N

InChI

InChI=1S/C21H16ClN5O3/c1-2-17(28)20(30)24-14-7-3-12(4-8-14)18-16(11-23)19(29)27-21(26-18)25-15-9-5-13(22)6-10-15/h3-10H,2H2,1H3,(H,24,30)(H2,25,26,27,29)