N-[3-[2-[(4-chlorophenyl)amino]-5-cyano-4-oxidanylidene-1H-pyrimidin-6-yl]phenyl]-N'-ethanoyl-ethanediamide

Systemtic Name: N-[3-[2-[(4-chlorophenyl)amino]-5-cyano-4-oxidanylidene-1H-pyrimidin-6-yl]phenyl]-N'-ethanoyl-ethanediamide Openeye Name: N'-acetyl-N-[3-[2-(4-chloroanilino)-5-cyano-4-oxo-1H-pyrimidin-6-yl]phenyl]oxamide CAS Name: N'-acetyl-N-[3-[2-(4-chloroanilino)-5-cyano-4-oxo-1H-pyrimidin-6-yl]phenyl]oxamide IUPAC Name: N'-acetyl-N-[3-[2-(4-chloroanilino)-5-cyano-4-oxo-1H-pyrimidin-6-yl]phenyl]oxamide Traditional Name: N'-acetyl-N-[3-[2-(4-chloroanilino)-5-cyano-4-keto-1H-pyrimidin-6-yl]phenyl]oxamide Formula: C21H15ClN6O4 MolecularWeight: 450.8346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15ClN6O4/c1-11(29)24-19(31)20(32)25-15-4-2-3-12(9-15)17-16(10-23)18(30)28-21(27-17)26-14-7-5-13(22)6-8-14/h2-9H,1H3,(H,25,32)(H,24,29,31)(H2,26,27,28,30)