4-[4-(2-ethoxyphenyl)piperazin-1-yl]-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine

Systemtic Name: 4-[4-(2-ethoxyphenyl)piperazin-1-yl]-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine Openeye Name: 4-[4-(2-ethoxyphenyl)piperazin-1-yl]-5-nitro-6-[4-(2-pyridyl)piperazin-1-yl]pyrimidine CAS Name: 4-[4-(2-ethoxyphenyl)-1-piperazinyl]-5-nitro-6-[4-(2-pyridinyl)-1-piperazinyl]pyrimidine IUPAC Name: 4-[4-(2-ethoxyphenyl)piperazin-1-yl]-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine Traditional Name: 5-nitro-4-(4-o-phenetylpiperazino)-6-[4-(2-pyridyl)piperazino]pyrimidine Formula: C25H30N8O3 MolecularWeight: 490.5575

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)C3=C(C(=NC=N3)N4CCN(CC4)C5=CC=CC=N5)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)C3=C(C(=NC=N3)N4CCN(CC4)C5=CC=CC=N5)[N+](=O)[O-]

InChI

InChI=1S/C25H30N8O3/c1-2-36-21-8-4-3-7-20(21)29-11-15-31(16-12-29)24-23(33(34)35)25(28-19-27-24)32-17-13-30(14-18-32)22-9-5-6-10-26-22/h3-10,19H,2,11-18H2,1H3