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

Systemtic Name: N-[4-[2-[(4-chlorophenyl)amino]-5-cyano-4-oxidanylidene-1H-pyrimidin-6-yl]phenyl]-3,3-dimethyl-butanamide Openeye Name: N-[4-[2-(4-chloroanilino)-5-cyano-4-oxo-1H-pyrimidin-6-yl]phenyl]-3,3-dimethyl-butanamide CAS Name: N-[4-[2-(4-chloroanilino)-5-cyano-4-oxo-1H-pyrimidin-6-yl]phenyl]-3,3-dimethylbutanamide IUPAC Name: N-[4-[2-(4-chloroanilino)-5-cyano-4-oxo-1H-pyrimidin-6-yl]phenyl]-3,3-dimethylbutanamide Traditional Name: N-[4-[2-(4-chloroanilino)-5-cyano-4-keto-1H-pyrimidin-6-yl]phenyl]-3,3-dimethyl-butyramide Formula: C23H22ClN5O2 MolecularWeight: 435.90608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)NC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)NC3=CC=C(C=C3)Cl)C#N

Isomeric SMILES

CC(C)(C)CC(=O)NC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)NC3=CC=C(C=C3)Cl)C#N

InChI

InChI=1S/C23H22ClN5O2/c1-23(2,3)12-19(30)26-16-8-4-14(5-9-16)20-18(13-25)21(31)29-22(28-20)27-17-10-6-15(24)7-11-17/h4-11H,12H2,1-3H3,(H,26,30)(H2,27,28,29,31)