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

Systemtic Name: N6-(2-methoxyethyl)-N4-(4-methylpiperazin-1-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(2-methoxyethyl)-N4-(4-methylpiperazin-1-yl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(2-methoxyethyl)-N4-(4-methyl-1-piperazinyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(2-methoxyethyl)-4-N-(4-methylpiperazin-1-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: 2-methoxyethyl-[6-[(4-methylpiperazino)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C12H21N7O3 MolecularWeight: 311.34024

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)NC2=NC=NC(=C2[N+](=O)[O-])NCCOC

Isomeric SMILES

CN1CCN(CC1)NC2=NC=NC(=C2[N+](=O)[O-])NCCOC

InChI

InChI=1S/C12H21N7O3/c1-17-4-6-18(7-5-17)16-12-10(19(20)21)11(14-9-15-12)13-3-8-22-2/h9H,3-8H2,1-2H3,(H2,13,14,15,16)