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

Systemtic Name: N6-(3-methoxyphenyl)-N4-(4-methylpiperazin-1-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(3-methoxyphenyl)-N4-(4-methylpiperazin-1-yl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(3-methoxyphenyl)-N4-(4-methyl-1-piperazinyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(3-methoxyphenyl)-4-N-(4-methylpiperazin-1-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(m-anisidino)-5-nitro-pyrimidin-4-yl]-(4-methylpiperazino)amine Formula: C16H21N7O3 MolecularWeight: 359.38304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N7O3/c1-21-6-8-22(9-7-21)20-16-14(23(24)25)15(17-11-18-16)19-12-4-3-5-13(10-12)26-2/h3-5,10-11H,6-9H2,1-2H3,(H2,17,18,19,20)