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

Systemtic Name: N-[3-[2-[(4-chlorophenyl)amino]-5-cyano-4-oxidanylidene-1H-pyrimidin-6-yl]phenyl]pyrrolidine-2-carboxamide Openeye Name: N-[3-[2-(4-chloroanilino)-5-cyano-4-oxo-1H-pyrimidin-6-yl]phenyl]pyrrolidine-2-carboxamide CAS Name: N-[3-[2-(4-chloroanilino)-5-cyano-4-oxo-1H-pyrimidin-6-yl]phenyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[3-[2-(4-chloroanilino)-5-cyano-4-oxo-1H-pyrimidin-6-yl]phenyl]pyrrolidine-2-carboxamide Traditional Name: N-[3-[2-(4-chloroanilino)-5-cyano-4-keto-1H-pyrimidin-6-yl]phenyl]pyrrolidine-2-carboxamide Formula: C22H19ClN6O2 MolecularWeight: 434.87826

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C(=O)NC2=CC=CC(=C2)C3=C(C(=O)N=C(N3)NC4=CC=C(C=C4)Cl)C#N

Isomeric SMILES

C1CC(NC1)C(=O)NC2=CC=CC(=C2)C3=C(C(=O)N=C(N3)NC4=CC=C(C=C4)Cl)C#N

InChI

InChI=1S/C22H19ClN6O2/c23-14-6-8-15(9-7-14)27-22-28-19(17(12-24)20(30)29-22)13-3-1-4-16(11-13)26-21(31)18-5-2-10-25-18/h1,3-4,6-9,11,18,25H,2,5,10H2,(H,26,31)(H2,27,28,29,30)