6-(azepan-1-yl)-N-(3-methoxyphenyl)-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(azepan-1-yl)-N-(3-methoxyphenyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(azepan-1-yl)-N-(3-methoxyphenyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-(1-azepanyl)-N-(3-methoxyphenyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-(azepan-1-yl)-N-(3-methoxyphenyl)-5-nitropyrimidin-4-amine Traditional Name: [6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]-(3-methoxyphenyl)amine Formula: C17H21N5O3 MolecularWeight: 343.38034

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCCCCC3

Isomeric SMILES

COC1=CC=CC(=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCCCCC3

InChI

InChI=1S/C17H21N5O3/c1-25-14-8-6-7-13(11-14)20-16-15(22(23)24)17(19-12-18-16)21-9-4-2-3-5-10-21/h6-8,11-12H,2-5,9-10H2,1H3,(H,18,19,20)