2,5-dimethyl-N-(3-nitrophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: 2,5-dimethyl-N-(3-nitrophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 2,5-dimethyl-N-(3-nitrophenyl)-4-[4-(2-pyridyl)piperazin-1-yl]thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 2,5-dimethyl-N-(3-nitrophenyl)-4-[4-(2-pyridinyl)-1-piperazinyl]-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 2,5-dimethyl-N-(3-nitrophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 2,5-dimethyl-N-(3-nitrophenyl)-4-[4-(2-pyridyl)piperazino]thieno[2,3-d]pyrimidine-6-carboxamide Formula: C24H23N7O3S MolecularWeight: 489.54952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)N3CCN(CC3)C4=CC=CC=N4)C)C(=O)NC5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)N3CCN(CC3)C4=CC=CC=N4)C)C(=O)NC5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C24H23N7O3S/c1-15-20-22(30-12-10-29(11-13-30)19-8-3-4-9-25-19)26-16(2)27-24(20)35-21(15)23(32)28-17-6-5-7-18(14-17)31(33)34/h3-9,14H,10-13H2,1-2H3,(H,28,32)