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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCCCCC3

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCCCCC3

InChI

InChI=1S/C18H23N5O3/c1-2-26-15-9-7-14(8-10-15)21-17-16(23(24)25)18(20-13-19-17)22-11-5-3-4-6-12-22/h7-10,13H,2-6,11-12H2,1H3,(H,19,20,21)