6-(azepan-1-yl)-N-(2-ethoxyphenyl)-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(azepan-1-yl)-N-(2-ethoxyphenyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(azepan-1-yl)-N-(2-ethoxyphenyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-(1-azepanyl)-N-(2-ethoxyphenyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-(azepan-1-yl)-N-(2-ethoxyphenyl)-5-nitropyrimidin-4-amine Traditional Name: [6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]-o-phenetyl-amine Formula: C18H23N5O3 MolecularWeight: 357.40692

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC2=NC=NC(=C2[N+](=O)[O-])N3CCCCCC3

Isomeric SMILES

CCOC1=CC=CC=C1NC2=NC=NC(=C2[N+](=O)[O-])N3CCCCCC3

InChI

InChI=1S/C18H23N5O3/c1-2-26-15-10-6-5-9-14(15)21-17-16(23(24)25)18(20-13-19-17)22-11-7-3-4-8-12-22/h5-6,9-10,13H,2-4,7-8,11-12H2,1H3,(H,19,20,21)