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

Systemtic Name: N-[3-[2-[(4-chlorophenyl)amino]-5-cyano-4-oxidanylidene-1H-pyrimidin-6-yl]phenyl]-3-methoxy-benzamide Openeye Name: N-[3-[2-(4-chloroanilino)-5-cyano-4-oxo-1H-pyrimidin-6-yl]phenyl]-3-methoxy-benzamide CAS Name: N-[3-[2-(4-chloroanilino)-5-cyano-4-oxo-1H-pyrimidin-6-yl]phenyl]-3-methoxybenzamide IUPAC Name: N-[3-[2-(4-chloroanilino)-5-cyano-4-oxo-1H-pyrimidin-6-yl]phenyl]-3-methoxybenzamide Traditional Name: N-[3-[2-(4-chloroanilino)-5-cyano-4-keto-1H-pyrimidin-6-yl]phenyl]-3-methoxy-benzamide Formula: C25H18ClN5O3 MolecularWeight: 471.89512

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)NC2=CC=CC(=C2)C3=C(C(=O)N=C(N3)NC4=CC=C(C=C4)Cl)C#N

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)NC2=CC=CC(=C2)C3=C(C(=O)N=C(N3)NC4=CC=C(C=C4)Cl)C#N

InChI

InChI=1S/C25H18ClN5O3/c1-34-20-7-3-5-16(13-20)23(32)28-19-6-2-4-15(12-19)22-21(14-27)24(33)31-25(30-22)29-18-10-8-17(26)9-11-18/h2-13H,1H3,(H,28,32)(H2,29,30,31,33)