N-[3-(4-fluorophenyl)sulfanyl-5-nitro-phenyl]-2,5-dimethyl-4-morpholin-4-yl-thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: N-[3-(4-fluorophenyl)sulfanyl-5-nitro-phenyl]-2,5-dimethyl-4-morpholin-4-yl-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-[3-(4-fluorophenyl)sulfanyl-5-nitro-phenyl]-2,5-dimethyl-4-morpholino-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-[3-[(4-fluorophenyl)thio]-5-nitrophenyl]-2,5-dimethyl-4-(4-morpholinyl)-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: N-[3-(4-fluorophenyl)sulfanyl-5-nitrophenyl]-2,5-dimethyl-4-morpholin-4-ylthieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-[3-[(4-fluorophenyl)thio]-5-nitro-phenyl]-2,5-dimethyl-4-morpholino-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C25H22FN5O4S2 MolecularWeight: 539.601683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)N3CCOCC3)C)C(=O)NC4=CC(=CC(=C4)SC5=CC=C(C=C5)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)N3CCOCC3)C)C(=O)NC4=CC(=CC(=C4)SC5=CC=C(C=C5)F)[N+](=O)[O-]

InChI

InChI=1S/C25H22FN5O4S2/c1-14-21-23(30-7-9-35-10-8-30)27-15(2)28-25(21)37-22(14)24(32)29-17-11-18(31(33)34)13-20(12-17)36-19-5-3-16(26)4-6-19/h3-6,11-13H,7-10H2,1-2H3,(H,29,32)