N'-[6-[(4-methylpiperazin-1-yl)amino]-5-nitro-pyrimidin-4-yl]-2-(4-nitrophenyl)ethanehydrazide

Systemtic Name: N'-[6-[(4-methylpiperazin-1-yl)amino]-5-nitro-pyrimidin-4-yl]-2-(4-nitrophenyl)ethanehydrazide Openeye Name: N'-[6-[(4-methylpiperazin-1-yl)amino]-5-nitro-pyrimidin-4-yl]-2-(4-nitrophenyl)acetohydrazide CAS Name: N'-[6-[(4-methyl-1-piperazinyl)amino]-5-nitro-4-pyrimidinyl]-2-(4-nitrophenyl)acetohydrazide IUPAC Name: N'-[6-[(4-methylpiperazin-1-yl)amino]-5-nitropyrimidin-4-yl]-2-(4-nitrophenyl)acetohydrazide Traditional Name: N'-[6-[(4-methylpiperazino)amino]-5-nitro-pyrimidin-4-yl]-2-(4-nitrophenyl)acetohydrazide Formula: C17H21N9O5 MolecularWeight: 431.40594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)NC2=C(C(=NC=N2)NNC(=O)CC3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)NC2=C(C(=NC=N2)NNC(=O)CC3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H21N9O5/c1-23-6-8-24(9-7-23)22-17-15(26(30)31)16(18-11-19-17)21-20-14(27)10-12-2-4-13(5-3-12)25(28)29/h2-5,11H,6-10H2,1H3,(H,20,27)(H2,18,19,21,22)