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

Systemtic Name: 4-azanyl-N-[3-[2-[(4-chlorophenyl)amino]-5-cyano-4-oxidanylidene-1H-pyrimidin-6-yl]phenyl]butanamide Openeye Name: 4-amino-N-[3-[2-(4-chloroanilino)-5-cyano-4-oxo-1H-pyrimidin-6-yl]phenyl]butanamide CAS Name: 4-amino-N-[3-[2-(4-chloroanilino)-5-cyano-4-oxo-1H-pyrimidin-6-yl]phenyl]butanamide IUPAC Name: 4-amino-N-[3-[2-(4-chloroanilino)-5-cyano-4-oxo-1H-pyrimidin-6-yl]phenyl]butanamide Traditional Name: 4-amino-N-[3-[2-(4-chloroanilino)-5-cyano-4-keto-1H-pyrimidin-6-yl]phenyl]butyramide Formula: C21H19ClN6O2 MolecularWeight: 422.86756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN6O2/c22-14-6-8-15(9-7-14)26-21-27-19(17(12-24)20(30)28-21)13-3-1-4-16(11-13)25-18(29)5-2-10-23/h1,3-4,6-9,11H,2,5,10,23H2,(H,25,29)(H2,26,27,28,30)