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

Systemtic Name: N4-(4-methylpiperazin-1-yl)-5-nitro-N6-(phenylmethyl)pyrimidine-4,6-diamine Openeye Name: N6-benzyl-N4-(4-methylpiperazin-1-yl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(4-methyl-1-piperazinyl)-5-nitro-N6-(phenylmethyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-benzyl-4-N-(4-methylpiperazin-1-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: benzyl-[6-[(4-methylpiperazino)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C16H21N7O2 MolecularWeight: 343.38364

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)NC2=NC=NC(=C2[N+](=O)[O-])NCC3=CC=CC=C3

Isomeric SMILES

CN1CCN(CC1)NC2=NC=NC(=C2[N+](=O)[O-])NCC3=CC=CC=C3

InChI

InChI=1S/C16H21N7O2/c1-21-7-9-22(10-8-21)20-16-14(23(24)25)15(18-12-19-16)17-11-13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3,(H2,17,18,19,20)