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

Systemtic Name: 1-[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]piperidine-3-carboxamide Openeye Name: 1-[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]piperidine-3-carboxamide CAS Name: 1-[2-(4-chloroanilino)-5-nitro-4-pyrimidinyl]-3-piperidinecarboxamide IUPAC Name: 1-[2-(4-chloroanilino)-5-nitropyrimidin-4-yl]piperidine-3-carboxamide Traditional Name: 1-[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]nipecotamide Formula: C16H17ClN6O3 MolecularWeight: 376.79758

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl)C(=O)N

Isomeric SMILES

C1CC(CN(C1)C2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl)C(=O)N

InChI

InChI=1S/C16H17ClN6O3/c17-11-3-5-12(6-4-11)20-16-19-8-13(23(25)26)15(21-16)22-7-1-2-10(9-22)14(18)24/h3-6,8,10H,1-2,7,9H2,(H2,18,24)(H,19,20,21)