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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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