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

Systemtic Name: N-(4-methylphenyl)-5-nitro-6-piperidin-1-yl-pyrimidin-4-amine Openeye Name: 5-nitro-6-(1-piperidyl)-N-(p-tolyl)pyrimidin-4-amine CAS Name: N-(4-methylphenyl)-5-nitro-6-(1-piperidinyl)-4-pyrimidinamine IUPAC Name: N-(4-methylphenyl)-5-nitro-6-piperidin-1-ylpyrimidin-4-amine Traditional Name: (5-nitro-6-piperidino-pyrimidin-4-yl)-(p-tolyl)amine Formula: C16H19N5O2 MolecularWeight: 313.35436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCCCC3

InChI

InChI=1S/C16H19N5O2/c1-12-5-7-13(8-6-12)19-15-14(21(22)23)16(18-11-17-15)20-9-3-2-4-10-20/h5-8,11H,2-4,9-10H2,1H3,(H,17,18,19)