1-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]-2-phenyl-diazane

Systemtic Name: 1-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]-2-phenyl-diazane Openeye Name: 1-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]-2-phenyl-hydrazine CAS Name: 1-[6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]-2-phenylhydrazine IUPAC Name: 1-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]-2-phenylhydrazine Traditional Name: 1-[5-nitro-6-(4-piperonylpiperazino)pyrimidin-4-yl]-2-phenyl-hydrazine Formula: C22H23N7O4 MolecularWeight: 449.46252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C(=NC=N4)NNC5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C(=NC=N4)NNC5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C22H23N7O4/c30-29(31)20-21(26-25-17-4-2-1-3-5-17)23-14-24-22(20)28-10-8-27(9-11-28)13-16-6-7-18-19(12-16)33-15-32-18/h1-7,12,14,25H,8-11,13,15H2,(H,23,24,26)