6-(2-ethylpiperidin-1-yl)-N-[(4-methylphenyl)methyl]-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(2-ethylpiperidin-1-yl)-N-[(4-methylphenyl)methyl]-5-nitro-pyrimidin-4-amine Openeye Name: 6-(2-ethyl-1-piperidyl)-5-nitro-N-(p-tolylmethyl)pyrimidin-4-amine CAS Name: 6-(2-ethyl-1-piperidinyl)-N-[(4-methylphenyl)methyl]-5-nitro-4-pyrimidinamine IUPAC Name: 6-(2-ethylpiperidin-1-yl)-N-[(4-methylphenyl)methyl]-5-nitropyrimidin-4-amine Traditional Name: [6-(2-ethylpiperidino)-5-nitro-pyrimidin-4-yl]-(4-methylbenzyl)amine Formula: C19H25N5O2 MolecularWeight: 355.4341

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C2=C(C(=NC=N2)NCC3=CC=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CCC1CCCCN1C2=C(C(=NC=N2)NCC3=CC=C(C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C19H25N5O2/c1-3-16-6-4-5-11-23(16)19-17(24(25)26)18(21-13-22-19)20-12-15-9-7-14(2)8-10-15/h7-10,13,16H,3-6,11-12H2,1-2H3,(H,20,21,22)