1-[5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-yl]-2-phenyl-diazane

Systemtic Name: 1-[5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-yl]-2-phenyl-diazane Openeye Name: 1-[6-(4-benzylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]-2-phenyl-hydrazine CAS Name: 1-[5-nitro-6-[4-(phenylmethyl)-1-piperazinyl]-4-pyrimidinyl]-2-phenylhydrazine IUPAC Name: 1-[6-(4-benzylpiperazin-1-yl)-5-nitropyrimidin-4-yl]-2-phenylhydrazine Traditional Name: 1-[6-(4-benzylpiperazino)-5-nitro-pyrimidin-4-yl]-2-phenyl-hydrazine Formula: C21H23N7O2 MolecularWeight: 405.45302

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=NC=N3)NNC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=NC=N3)NNC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H23N7O2/c29-28(30)19-20(25-24-18-9-5-2-6-10-18)22-16-23-21(19)27-13-11-26(12-14-27)15-17-7-3-1-4-8-17/h1-10,16,24H,11-15H2,(H,22,23,25)