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

Systemtic Name: 4-methyl-N'-[6-[(4-methylpiperazin-1-yl)amino]-5-nitro-pyrimidin-4-yl]benzohydrazide Openeye Name: 4-methyl-N'-[6-[(4-methylpiperazin-1-yl)amino]-5-nitro-pyrimidin-4-yl]benzohydrazide CAS Name: 4-methyl-N'-[6-[(4-methyl-1-piperazinyl)amino]-5-nitro-4-pyrimidinyl]benzohydrazide IUPAC Name: 4-methyl-N'-[6-[(4-methylpiperazin-1-yl)amino]-5-nitropyrimidin-4-yl]benzohydrazide Traditional Name: 4-methyl-N'-[6-[(4-methylpiperazino)amino]-5-nitro-pyrimidin-4-yl]benzohydrazide Formula: C17H22N8O3 MolecularWeight: 386.40838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NNC2=NC=NC(=C2[N+](=O)[O-])NN3CCN(CC3)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NNC2=NC=NC(=C2[N+](=O)[O-])NN3CCN(CC3)C

InChI

InChI=1S/C17H22N8O3/c1-12-3-5-13(6-4-12)17(26)21-20-15-14(25(27)28)16(19-11-18-15)22-24-9-7-23(2)8-10-24/h3-6,11H,7-10H2,1-2H3,(H,21,26)(H2,18,19,20,22)