4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-[4-(2-ethoxyphenyl)piperazin-1-yl]-5-nitro-pyrimidine

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-[4-(2-ethoxyphenyl)piperazin-1-yl]-5-nitro-pyrimidine Openeye Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-[4-(2-ethoxyphenyl)piperazin-1-yl]-5-nitro-pyrimidine CAS Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-6-[4-(2-ethoxyphenyl)-1-piperazinyl]-5-nitropyrimidine IUPAC Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-[4-(2-ethoxyphenyl)piperazin-1-yl]-5-nitropyrimidine Traditional Name: 5-nitro-4-(4-o-phenetylpiperazino)-6-(4-piperonylpiperazino)pyrimidine Formula: C28H33N7O5 MolecularWeight: 547.60552

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)C3=C(C(=NC=N3)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)C3=C(C(=NC=N3)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6)[N+](=O)[O-]

InChI

InChI=1S/C28H33N7O5/c1-2-38-23-6-4-3-5-22(23)32-13-15-34(16-14-32)28-26(35(36)37)27(29-19-30-28)33-11-9-31(10-12-33)18-21-7-8-24-25(17-21)40-20-39-24/h3-8,17,19H,2,9-16,18,20H2,1H3