6-(4-methylpiperazin-1-yl)-N4-[(3-nitrophenyl)methyl]pyrimidine-2,4-diamine

Systemtic Name: 6-(4-methylpiperazin-1-yl)-N4-[(3-nitrophenyl)methyl]pyrimidine-2,4-diamine Openeye Name: 6-(4-methylpiperazin-1-yl)-N4-[(3-nitrophenyl)methyl]pyrimidine-2,4-diamine CAS Name: 6-(4-methyl-1-piperazinyl)-N4-[(3-nitrophenyl)methyl]pyrimidine-2,4-diamine IUPAC Name: 6-(4-methylpiperazin-1-yl)-4-N-[(3-nitrophenyl)methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-6-(4-methylpiperazino)pyrimidin-4-yl]-(3-nitrobenzyl)amine Formula: C16H21N7O2 MolecularWeight: 343.38364

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC(=NC(=N2)N)NCC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=CC(=NC(=N2)N)NCC3=CC(=CC=C3)[N+](=O)[O-]

InChI

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