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

Systemtic Name: 6-(azepan-1-yl)-N2-(2-methoxyethyl)-5-nitro-pyrimidine-2,4-diamine Openeye Name: 6-(azepan-1-yl)-N2-(2-methoxyethyl)-5-nitro-pyrimidine-2,4-diamine CAS Name: 6-(1-azepanyl)-N2-(2-methoxyethyl)-5-nitropyrimidine-2,4-diamine IUPAC Name: 6-(azepan-1-yl)-2-N-(2-methoxyethyl)-5-nitropyrimidine-2,4-diamine Traditional Name: [4-amino-6-(azepan-1-yl)-5-nitro-pyrimidin-2-yl]-(2-methoxyethyl)amine Formula: C13H22N6O3 MolecularWeight: 310.35218

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=NC(=C(C(=N1)N)[N+](=O)[O-])N2CCCCCC2

Isomeric SMILES

COCCNC1=NC(=C(C(=N1)N)[N+](=O)[O-])N2CCCCCC2

InChI

InChI=1S/C13H22N6O3/c1-22-9-6-15-13-16-11(14)10(19(20)21)12(17-13)18-7-4-2-3-5-8-18/h2-9H2,1H3,(H3,14,15,16,17)