5-nitro-N-(1-phenylethyl)-6-piperidin-1-yl-pyrimidin-4-amine

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCCCC3

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCCCC3

InChI

InChI=1S/C17H21N5O2/c1-13(14-8-4-2-5-9-14)20-16-15(22(23)24)17(19-12-18-16)21-10-6-3-7-11-21/h2,4-5,8-9,12-13H,3,6-7,10-11H2,1H3,(H,18,19,20)