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

Systemtic Name: 6-(azepan-1-yl)-N-(4-methylphenyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(azepan-1-yl)-5-nitro-N-(p-tolyl)pyrimidin-4-amine CAS Name: 6-(1-azepanyl)-N-(4-methylphenyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-(azepan-1-yl)-N-(4-methylphenyl)-5-nitropyrimidin-4-amine Traditional Name: [6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]-(p-tolyl)amine Formula: C17H21N5O2 MolecularWeight: 327.38094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCCCCC3

InChI

InChI=1S/C17H21N5O2/c1-13-6-8-14(9-7-13)20-16-15(22(23)24)17(19-12-18-16)21-10-4-2-3-5-11-21/h6-9,12H,2-5,10-11H2,1H3,(H,18,19,20)