6-(azepan-1-yl)-N2-(4-methylphenyl)-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: 6-(azepan-1-yl)-N2-(4-methylphenyl)-5-nitro-pyrimidine-2,4-diamine Openeye Name: 6-(azepan-1-yl)-5-nitro-N2-(p-tolyl)pyrimidine-2,4-diamine CAS Name: 6-(1-azepanyl)-N2-(4-methylphenyl)-5-nitropyrimidine-2,4-diamine IUPAC Name: 6-(azepan-1-yl)-2-N-(4-methylphenyl)-5-nitropyrimidine-2,4-diamine Traditional Name: [4-amino-6-(azepan-1-yl)-5-nitro-pyrimidin-2-yl]-(p-tolyl)amine Formula: C17H22N6O2 MolecularWeight: 342.39558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=C(C(=N2)N)[N+](=O)[O-])N3CCCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=C(C(=N2)N)[N+](=O)[O-])N3CCCCCC3

InChI

InChI=1S/C17H22N6O2/c1-12-6-8-13(9-7-12)19-17-20-15(18)14(23(24)25)16(21-17)22-10-4-2-3-5-11-22/h6-9H,2-5,10-11H2,1H3,(H3,18,19,20,21)