N6-hexadecyl-N4-(4-methylpiperazin-1-yl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-hexadecyl-N4-(4-methylpiperazin-1-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-hexadecyl-N4-(4-methylpiperazin-1-yl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-hexadecyl-N4-(4-methyl-1-piperazinyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-hexadecyl-4-N-(4-methylpiperazin-1-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: cetyl-[6-[(4-methylpiperazino)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C25H47N7O2 MolecularWeight: 477.68638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=C(C(=NC=N1)NN2CCN(CC2)C)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=C(C(=NC=N1)NN2CCN(CC2)C)[N+](=O)[O-]

InChI

InChI=1S/C25H47N7O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26-24-23(32(33)34)25(28-22-27-24)29-31-20-18-30(2)19-21-31/h22H,3-21H2,1-2H3,(H2,26,27,28,29)