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

Systemtic Name: N6-(4-iodophenyl)-N4-(4-methylpiperazin-1-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(4-iodophenyl)-N4-(4-methylpiperazin-1-yl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(4-iodophenyl)-N4-(4-methyl-1-piperazinyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(4-iodophenyl)-4-N-(4-methylpiperazin-1-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(4-iodoanilino)-5-nitro-pyrimidin-4-yl]-(4-methylpiperazino)amine Formula: C15H18IN7O2 MolecularWeight: 455.25359

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18IN7O2/c1-21-6-8-22(9-7-21)20-15-13(23(24)25)14(17-10-18-15)19-12-4-2-11(16)3-5-12/h2-5,10H,6-9H2,1H3,(H2,17,18,19,20)