N6-(1,3-benzodioxol-5-yl)-N4-(4-methylpiperazin-1-yl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-(1,3-benzodioxol-5-yl)-N4-(4-methylpiperazin-1-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(1,3-benzodioxol-5-yl)-N4-(4-methylpiperazin-1-yl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(1,3-benzodioxol-5-yl)-N4-(4-methyl-1-piperazinyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(1,3-benzodioxol-5-yl)-4-N-(4-methylpiperazin-1-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: 1,3-benzodioxol-5-yl-[6-[(4-methylpiperazino)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C16H19N7O4 MolecularWeight: 373.36656

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN1CCN(CC1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C16H19N7O4/c1-21-4-6-22(7-5-21)20-16-14(23(24)25)15(17-9-18-16)19-11-2-3-12-13(8-11)27-10-26-12/h2-3,8-9H,4-7,10H2,1H3,(H2,17,18,19,20)