N2-(4-ethoxyphenyl)-5-nitro-6-piperidin-1-yl-pyrimidine-2,4-diamine

Systemtic Name: N2-(4-ethoxyphenyl)-5-nitro-6-piperidin-1-yl-pyrimidine-2,4-diamine Openeye Name: N2-(4-ethoxyphenyl)-5-nitro-6-(1-piperidyl)pyrimidine-2,4-diamine CAS Name: N2-(4-ethoxyphenyl)-5-nitro-6-(1-piperidinyl)pyrimidine-2,4-diamine IUPAC Name: 2-N-(4-ethoxyphenyl)-5-nitro-6-piperidin-1-ylpyrimidine-2,4-diamine Traditional Name: (4-amino-5-nitro-6-piperidino-pyrimidin-2-yl)-p-phenetyl-amine Formula: C17H22N6O3 MolecularWeight: 358.39498

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=NC(=C(C(=N2)N)[N+](=O)[O-])N3CCCCC3

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=NC(=C(C(=N2)N)[N+](=O)[O-])N3CCCCC3

InChI

InChI=1S/C17H22N6O3/c1-2-26-13-8-6-12(7-9-13)19-17-20-15(18)14(23(24)25)16(21-17)22-10-4-3-5-11-22/h6-9H,2-5,10-11H2,1H3,(H3,18,19,20,21)