6-(azepan-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(azepan-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-pyrimidin-4-amine Openeye Name: 6-(azepan-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-pyrimidin-4-amine CAS Name: 6-(1-azepanyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-4-pyrimidinamine IUPAC Name: 6-(azepan-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitropyrimidin-4-amine Traditional Name: [6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]-homoveratryl-amine Formula: C20H27N5O4 MolecularWeight: 401.45948

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=NC=NC(=C2[N+](=O)[O-])N3CCCCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=NC=NC(=C2[N+](=O)[O-])N3CCCCCC3)OC

InChI

InChI=1S/C20H27N5O4/c1-28-16-8-7-15(13-17(16)29-2)9-10-21-19-18(25(26)27)20(23-14-22-19)24-11-5-3-4-6-12-24/h7-8,13-14H,3-6,9-12H2,1-2H3,(H,21,22,23)