1-[6-[(4-chlorophenyl)amino]-2-cyano-5-methoxy-pyrimidin-4-yl]piperidine-3-carboxamide

Systemtic Name: 1-[6-[(4-chlorophenyl)amino]-2-cyano-5-methoxy-pyrimidin-4-yl]piperidine-3-carboxamide Openeye Name: 1-[6-(4-chloroanilino)-2-cyano-5-methoxy-pyrimidin-4-yl]piperidine-3-carboxamide CAS Name: 1-[6-(4-chloroanilino)-2-cyano-5-methoxy-4-pyrimidinyl]-3-piperidinecarboxamide IUPAC Name: 1-[6-(4-chloroanilino)-2-cyano-5-methoxypyrimidin-4-yl]piperidine-3-carboxamide Traditional Name: 1-[6-(4-chloroanilino)-2-cyano-5-methoxy-pyrimidin-4-yl]nipecotamide Formula: C18H19ClN6O2 MolecularWeight: 386.83546

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(N=C(N=C1NC2=CC=C(C=C2)Cl)C#N)N3CCCC(C3)C(=O)N

Isomeric SMILES

COC1=C(N=C(N=C1NC2=CC=C(C=C2)Cl)C#N)N3CCCC(C3)C(=O)N

InChI

InChI=1S/C18H19ClN6O2/c1-27-15-17(22-13-6-4-12(19)5-7-13)23-14(9-20)24-18(15)25-8-2-3-11(10-25)16(21)26/h4-7,11H,2-3,8,10H2,1H3,(H2,21,26)(H,22,23,24)