N'-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]benzohydrazide

Systemtic Name: N'-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]benzohydrazide Openeye Name: N'-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]benzohydrazide CAS Name: N'-[6-[4-(2,3-dimethylphenyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]benzohydrazide IUPAC Name: N'-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]benzohydrazide Traditional Name: N'-[6-[4-(2,3-dimethylphenyl)piperazino]-5-nitro-pyrimidin-4-yl]benzohydrazide Formula: C23H25N7O3 MolecularWeight: 447.4897

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C3=C(C(=NC=N3)NNC(=O)C4=CC=CC=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C3=C(C(=NC=N3)NNC(=O)C4=CC=CC=C4)[N+](=O)[O-])C

InChI

InChI=1S/C23H25N7O3/c1-16-7-6-10-19(17(16)2)28-11-13-29(14-12-28)22-20(30(32)33)21(24-15-25-22)26-27-23(31)18-8-4-3-5-9-18/h3-10,15H,11-14H2,1-2H3,(H,27,31)(H,24,25,26)