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

Systemtic Name: N-[3-[2-[(4-chlorophenyl)amino]-5-cyano-4-oxidanylidene-1H-pyrimidin-6-yl]phenyl]morpholine-4-carboxamide Openeye Name: N-[3-[2-(4-chloroanilino)-5-cyano-4-oxo-1H-pyrimidin-6-yl]phenyl]morpholine-4-carboxamide CAS Name: N-[3-[2-(4-chloroanilino)-5-cyano-4-oxo-1H-pyrimidin-6-yl]phenyl]-4-morpholinecarboxamide IUPAC Name: N-[3-[2-(4-chloroanilino)-5-cyano-4-oxo-1H-pyrimidin-6-yl]phenyl]morpholine-4-carboxamide Traditional Name: N-[3-[2-(4-chloroanilino)-5-cyano-4-keto-1H-pyrimidin-6-yl]phenyl]morpholine-4-carboxamide Formula: C22H19ClN6O3 MolecularWeight: 450.87766

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)NC2=CC=CC(=C2)C3=C(C(=O)N=C(N3)NC4=CC=C(C=C4)Cl)C#N

Isomeric SMILES

C1COCCN1C(=O)NC2=CC=CC(=C2)C3=C(C(=O)N=C(N3)NC4=CC=C(C=C4)Cl)C#N

InChI

InChI=1S/C22H19ClN6O3/c23-15-4-6-16(7-5-15)25-21-27-19(18(13-24)20(30)28-21)14-2-1-3-17(12-14)26-22(31)29-8-10-32-11-9-29/h1-7,12H,8-11H2,(H,26,31)(H2,25,27,28,30)