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

Systemtic Name: N2-[3-(diethylamino)propyl]-6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidine-2,4-diamine Openeye Name: N2-[3-(diethylamino)propyl]-6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidine-2,4-diamine CAS Name: N2-[3-(diethylamino)propyl]-6-(4-methyl-1-piperazinyl)-5-nitropyrimidine-2,4-diamine IUPAC Name: 2-N-[3-(diethylamino)propyl]-6-(4-methylpiperazin-1-yl)-5-nitropyrimidine-2,4-diamine Traditional Name: 3-[[4-amino-6-(4-methylpiperazino)-5-nitro-pyrimidin-2-yl]amino]propyl-diethyl-amine Formula: C16H30N8O2 MolecularWeight: 366.4618

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCNC1=NC(=C(C(=N1)N)[N+](=O)[O-])N2CCN(CC2)C

Isomeric SMILES

CCN(CC)CCCNC1=NC(=C(C(=N1)N)[N+](=O)[O-])N2CCN(CC2)C

InChI

InChI=1S/C16H30N8O2/c1-4-22(5-2)8-6-7-18-16-19-14(17)13(24(25)26)15(20-16)23-11-9-21(3)10-12-23/h4-12H2,1-3H3,(H3,17,18,19,20)