N'-[6-[(4-methylpiperazin-1-yl)amino]-5-nitro-pyrimidin-4-yl]-3-nitro-benzohydrazide

Systemtic Name: N'-[6-[(4-methylpiperazin-1-yl)amino]-5-nitro-pyrimidin-4-yl]-3-nitro-benzohydrazide Openeye Name: N'-[6-[(4-methylpiperazin-1-yl)amino]-5-nitro-pyrimidin-4-yl]-3-nitro-benzohydrazide CAS Name: N'-[6-[(4-methyl-1-piperazinyl)amino]-5-nitro-4-pyrimidinyl]-3-nitrobenzohydrazide IUPAC Name: N'-[6-[(4-methylpiperazin-1-yl)amino]-5-nitropyrimidin-4-yl]-3-nitrobenzohydrazide Traditional Name: N'-[6-[(4-methylpiperazino)amino]-5-nitro-pyrimidin-4-yl]-3-nitro-benzohydrazide Formula: C16H19N9O5 MolecularWeight: 417.37936

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)NC2=C(C(=NC=N2)NNC(=O)C3=CC(=CC=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)NC2=C(C(=NC=N2)NNC(=O)C3=CC(=CC=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H19N9O5/c1-22-5-7-23(8-6-22)21-15-13(25(29)30)14(17-10-18-15)19-20-16(26)11-3-2-4-12(9-11)24(27)28/h2-4,9-10H,5-8H2,1H3,(H,20,26)(H2,17,18,19,21)