5-nitro-N2-phenethyl-6-piperidin-1-yl-pyrimidine-2,4-diamine

Systemtic Name: 5-nitro-N2-phenethyl-6-piperidin-1-yl-pyrimidine-2,4-diamine Openeye Name: 5-nitro-N2-phenethyl-6-(1-piperidyl)pyrimidine-2,4-diamine CAS Name: 5-nitro-N2-phenethyl-6-(1-piperidinyl)pyrimidine-2,4-diamine IUPAC Name: 5-nitro-2-N-phenethyl-6-piperidin-1-ylpyrimidine-2,4-diamine Traditional Name: (4-amino-5-nitro-6-piperidino-pyrimidin-2-yl)-phenethyl-amine Formula: C17H22N6O2 MolecularWeight: 342.39558

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C(=NC(=N2)NCCC3=CC=CC=C3)N)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C(=NC(=N2)NCCC3=CC=CC=C3)N)[N+](=O)[O-]

InChI

InChI=1S/C17H22N6O2/c18-15-14(23(24)25)16(22-11-5-2-6-12-22)21-17(20-15)19-10-9-13-7-3-1-4-8-13/h1,3-4,7-8H,2,5-6,9-12H2,(H3,18,19,20,21)