N2-[3-(diethylamino)propyl]-6-(4-methylpiperidin-1-yl)-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: N2-[3-(diethylamino)propyl]-6-(4-methylpiperidin-1-yl)-5-nitro-pyrimidine-2,4-diamine Openeye Name: N2-[3-(diethylamino)propyl]-6-(4-methyl-1-piperidyl)-5-nitro-pyrimidine-2,4-diamine CAS Name: N2-[3-(diethylamino)propyl]-6-(4-methyl-1-piperidinyl)-5-nitropyrimidine-2,4-diamine IUPAC Name: 2-N-[3-(diethylamino)propyl]-6-(4-methylpiperidin-1-yl)-5-nitropyrimidine-2,4-diamine Traditional Name: 3-[[4-amino-6-(4-methylpiperidino)-5-nitro-pyrimidin-2-yl]amino]propyl-diethyl-amine Formula: C17H31N7O2 MolecularWeight: 365.47374

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCNC1=NC(=C(C(=N1)N)[N+](=O)[O-])N2CCC(CC2)C

Isomeric SMILES

CCN(CC)CCCNC1=NC(=C(C(=N1)N)[N+](=O)[O-])N2CCC(CC2)C

InChI

InChI=1S/C17H31N7O2/c1-4-22(5-2)10-6-9-19-17-20-15(18)14(24(25)26)16(21-17)23-11-7-13(3)8-12-23/h13H,4-12H2,1-3H3,(H3,18,19,20,21)