4,6-bis[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidine

Systemtic Name: 4,6-bis[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidine Openeye Name: 4,6-bis[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidine CAS Name: 4,6-bis[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-5-nitropyrimidine IUPAC Name: 4,6-bis[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitropyrimidine Traditional Name: 5-nitro-4,6-bis(4-piperonylpiperazino)pyrimidine Formula: C28H31N7O6 MolecularWeight: 561.58904

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C(=NC=N4)N5CCN(CC5)CC6=CC7=C(C=C6)OCO7)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C(=NC=N4)N5CCN(CC5)CC6=CC7=C(C=C6)OCO7)[N+](=O)[O-]

InChI

InChI=1S/C28H31N7O6/c36-35(37)26-27(33-9-5-31(6-10-33)15-20-1-3-22-24(13-20)40-18-38-22)29-17-30-28(26)34-11-7-32(8-12-34)16-21-2-4-23-25(14-21)41-19-39-23/h1-4,13-14,17H,5-12,15-16,18-19H2