6-(2-ethylpiperidin-1-yl)-5-nitro-N-(phenylmethyl)pyrimidin-4-amine

Systemtic Name: 6-(2-ethylpiperidin-1-yl)-5-nitro-N-(phenylmethyl)pyrimidin-4-amine Openeye Name: N-benzyl-6-(2-ethyl-1-piperidyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-(2-ethyl-1-piperidinyl)-5-nitro-N-(phenylmethyl)-4-pyrimidinamine IUPAC Name: N-benzyl-6-(2-ethylpiperidin-1-yl)-5-nitropyrimidin-4-amine Traditional Name: benzyl-[6-(2-ethylpiperidino)-5-nitro-pyrimidin-4-yl]amine Formula: C18H23N5O2 MolecularWeight: 341.40752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N5O2/c1-2-15-10-6-7-11-22(15)18-16(23(24)25)17(20-13-21-18)19-12-14-8-4-3-5-9-14/h3-5,8-9,13,15H,2,6-7,10-12H2,1H3,(H,19,20,21)