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

Systemtic Name: N-(2-methoxy-5-nitro-phenyl)-2,5-dimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-(2-methoxy-5-nitro-phenyl)-2,5-dimethyl-4-[4-(2-pyridyl)piperazin-1-yl]thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-(2-methoxy-5-nitrophenyl)-2,5-dimethyl-4-[4-(2-pyridinyl)-1-piperazinyl]-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: N-(2-methoxy-5-nitrophenyl)-2,5-dimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-(2-methoxy-5-nitro-phenyl)-2,5-dimethyl-4-[4-(2-pyridyl)piperazino]thieno[2,3-d]pyrimidine-6-carboxamide Formula: C25H25N7O4S MolecularWeight: 519.5755

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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=C(C=CC(=C5)[N+](=O)[O-])OC

Isomeric SMILES

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

InChI

InChI=1S/C25H25N7O4S/c1-15-21-23(31-12-10-30(11-13-31)20-6-4-5-9-26-20)27-16(2)28-25(21)37-22(15)24(33)29-18-14-17(32(34)35)7-8-19(18)36-3/h4-9,14H,10-13H2,1-3H3,(H,29,33)