4-[4-(3-methyl-5-nitro-imidazol-4-yl)piperazin-1-yl]-5-phenyl-2-pyridin-2-yl-thieno[2,3-d]pyrimidine

Systemtic Name: 4-[4-(3-methyl-5-nitro-imidazol-4-yl)piperazin-1-yl]-5-phenyl-2-pyridin-2-yl-thieno[2,3-d]pyrimidine Openeye Name: 4-[4-(3-methyl-5-nitro-imidazol-4-yl)piperazin-1-yl]-5-phenyl-2-(2-pyridyl)thieno[2,3-d]pyrimidine CAS Name: 4-[4-(3-methyl-5-nitro-4-imidazolyl)-1-piperazinyl]-5-phenyl-2-(2-pyridinyl)thieno[2,3-d]pyrimidine IUPAC Name: 4-[4-(3-methyl-5-nitroimidazol-4-yl)piperazin-1-yl]-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidine Traditional Name: 4-[4-(3-methyl-5-nitro-imidazol-4-yl)piperazino]-5-phenyl-2-(2-pyridyl)thieno[2,3-d]pyrimidine Formula: C25H22N8O2S MolecularWeight: 498.55958

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC(=C1N2CCN(CC2)C3=C4C(=CSC4=NC(=N3)C5=CC=CC=N5)C6=CC=CC=C6)[N+](=O)[O-]

Isomeric SMILES

CN1C=NC(=C1N2CCN(CC2)C3=C4C(=CSC4=NC(=N3)C5=CC=CC=N5)C6=CC=CC=C6)[N+](=O)[O-]

InChI

InChI=1S/C25H22N8O2S/c1-30-16-27-23(33(34)35)25(30)32-13-11-31(12-14-32)22-20-18(17-7-3-2-4-8-17)15-36-24(20)29-21(28-22)19-9-5-6-10-26-19/h2-10,15-16H,11-14H2,1H3