5-nitro-N-phenethyl-6-piperidin-1-yl-pyrimidin-4-amine

Systemtic Name: 5-nitro-N-phenethyl-6-piperidin-1-yl-pyrimidin-4-amine Openeye Name: 5-nitro-N-phenethyl-6-(1-piperidyl)pyrimidin-4-amine CAS Name: 5-nitro-N-phenethyl-6-(1-piperidinyl)-4-pyrimidinamine IUPAC Name: 5-nitro-N-phenethyl-6-piperidin-1-ylpyrimidin-4-amine Traditional Name: (5-nitro-6-piperidino-pyrimidin-4-yl)-phenethyl-amine Formula: C17H21N5O2 MolecularWeight: 327.38094

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C(=NC=N2)NCCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C(=NC=N2)NCCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H21N5O2/c23-22(24)15-16(18-10-9-14-7-3-1-4-8-14)19-13-20-17(15)21-11-5-2-6-12-21/h1,3-4,7-8,13H,2,5-6,9-12H2,(H,18,19,20)