6-(azepan-1-yl)-N2-(3-methoxyphenyl)-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: 6-(azepan-1-yl)-N2-(3-methoxyphenyl)-5-nitro-pyrimidine-2,4-diamine Openeye Name: 6-(azepan-1-yl)-N2-(3-methoxyphenyl)-5-nitro-pyrimidine-2,4-diamine CAS Name: 6-(1-azepanyl)-N2-(3-methoxyphenyl)-5-nitropyrimidine-2,4-diamine IUPAC Name: 6-(azepan-1-yl)-2-N-(3-methoxyphenyl)-5-nitropyrimidine-2,4-diamine Traditional Name: [4-amino-6-(azepan-1-yl)-5-nitro-pyrimidin-2-yl]-(3-methoxyphenyl)amine Formula: C17H22N6O3 MolecularWeight: 358.39498

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC2=NC(=C(C(=N2)N)[N+](=O)[O-])N3CCCCCC3

Isomeric SMILES

COC1=CC=CC(=C1)NC2=NC(=C(C(=N2)N)[N+](=O)[O-])N3CCCCCC3

InChI

InChI=1S/C17H22N6O3/c1-26-13-8-6-7-12(11-13)19-17-20-15(18)14(23(24)25)16(21-17)22-9-4-2-3-5-10-22/h6-8,11H,2-5,9-10H2,1H3,(H3,18,19,20,21)