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

Systemtic Name: N-(2-ethoxyphenyl)-5-nitro-6-piperidin-1-yl-pyrimidin-4-amine Openeye Name: N-(2-ethoxyphenyl)-5-nitro-6-(1-piperidyl)pyrimidin-4-amine CAS Name: N-(2-ethoxyphenyl)-5-nitro-6-(1-piperidinyl)-4-pyrimidinamine IUPAC Name: N-(2-ethoxyphenyl)-5-nitro-6-piperidin-1-ylpyrimidin-4-amine Traditional Name: (5-nitro-6-piperidino-pyrimidin-4-yl)-o-phenetyl-amine Formula: C17H21N5O3 MolecularWeight: 343.38034

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC2=NC=NC(=C2[N+](=O)[O-])N3CCCCC3

Isomeric SMILES

CCOC1=CC=CC=C1NC2=NC=NC(=C2[N+](=O)[O-])N3CCCCC3

InChI

InChI=1S/C17H21N5O3/c1-2-25-14-9-5-4-8-13(14)20-16-15(22(23)24)17(19-12-18-16)21-10-6-3-7-11-21/h4-5,8-9,12H,2-3,6-7,10-11H2,1H3,(H,18,19,20)