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

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitro-pyrimidine Openeye Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitro-pyrimidine CAS Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-6-[4-(4-methoxyphenyl)-1-piperazinyl]-5-nitropyrimidine IUPAC Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitropyrimidine Traditional Name: 4-[4-(4-methoxyphenyl)piperazino]-5-nitro-6-(4-piperonylpiperazino)pyrimidine Formula: C27H31N7O5 MolecularWeight: 533.57894

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C3=C(C(=NC=N3)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C3=C(C(=NC=N3)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6)[N+](=O)[O-]

InChI

InChI=1S/C27H31N7O5/c1-37-22-5-3-21(4-6-22)31-12-14-33(15-13-31)27-25(34(35)36)26(28-18-29-27)32-10-8-30(9-11-32)17-20-2-7-23-24(16-20)39-19-38-23/h2-7,16,18H,8-15,17,19H2,1H3