N6-(5-chloranylpyridin-2-yl)-N4-(4-methylpiperazin-1-yl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-(5-chloranylpyridin-2-yl)-N4-(4-methylpiperazin-1-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(5-chloro-2-pyridyl)-N4-(4-methylpiperazin-1-yl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(5-chloro-2-pyridinyl)-N4-(4-methyl-1-piperazinyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(5-chloropyridin-2-yl)-4-N-(4-methylpiperazin-1-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: (5-chloro-2-pyridyl)-[6-[(4-methylpiperazino)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C14H17ClN8O2 MolecularWeight: 364.79018

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=NC=C(C=C3)Cl

Isomeric SMILES

CN1CCN(CC1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=NC=C(C=C3)Cl

InChI

InChI=1S/C14H17ClN8O2/c1-21-4-6-22(7-5-21)20-14-12(23(24)25)13(17-9-18-14)19-11-3-2-10(15)8-16-11/h2-3,8-9H,4-7H2,1H3,(H2,16,17,18,19,20)