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

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-[4-(2-methoxyphenyl)piperidin-1-yl]-5-nitro-pyrimidine Openeye Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-[4-(2-methoxyphenyl)-1-piperidyl]-5-nitro-pyrimidine CAS Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-6-[4-(2-methoxyphenyl)-1-piperidinyl]-5-nitropyrimidine IUPAC Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-[4-(2-methoxyphenyl)piperidin-1-yl]-5-nitropyrimidine Traditional Name: 4-[4-(2-methoxyphenyl)piperidino]-5-nitro-6-(4-piperonylpiperazino)pyrimidine Formula: C28H32N6O5 MolecularWeight: 532.59088

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2CCN(CC2)C3=C(C(=NC=N3)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1C2CCN(CC2)C3=C(C(=NC=N3)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6)[N+](=O)[O-]

InChI

InChI=1S/C28H32N6O5/c1-37-23-5-3-2-4-22(23)21-8-10-32(11-9-21)27-26(34(35)36)28(30-18-29-27)33-14-12-31(13-15-33)17-20-6-7-24-25(16-20)39-19-38-24/h2-7,16,18,21H,8-15,17,19H2,1H3