6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-N-(3-nitrophenyl)pyrimidin-4-amine

Systemtic Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-N-(3-nitrophenyl)pyrimidin-4-amine Openeye Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-N-(3-nitrophenyl)pyrimidin-4-amine CAS Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-5-nitro-N-(3-nitrophenyl)-4-pyrimidinamine IUPAC Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-N-(3-nitrophenyl)pyrimidin-4-amine Traditional Name: (3-nitrophenyl)-[5-nitro-6-(4-piperonylpiperazino)pyrimidin-4-yl]amine Formula: C22H21N7O6 MolecularWeight: 479.44544

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C(=NC=N4)NC5=CC(=CC=C5)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C(=NC=N4)NC5=CC(=CC=C5)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H21N7O6/c30-28(31)17-3-1-2-16(11-17)25-21-20(29(32)33)22(24-13-23-21)27-8-6-26(7-9-27)12-15-4-5-18-19(10-15)35-14-34-18/h1-5,10-11,13H,6-9,12,14H2,(H,23,24,25)