(4-azanyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)methyl 4-fluoranyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: (4-azanyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)methyl 4-fluoranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: (4-amino-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)methyl 4-fluoro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-fluoro-3-(1-piperidinylsulfonyl)benzoic acid (4-amino-5,6-dimethyl-2-thieno[2,3-d]pyrimidinyl)methyl ester IUPAC Name: (4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl 4-fluoro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-fluoro-3-piperidinosulfonyl-benzoic acid (4-amino-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)methyl ester Formula: C21H23FN4O4S2 MolecularWeight: 478.560123

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)N)COC(=O)C3=CC(=C(C=C3)F)S(=O)(=O)N4CCCCC4)C

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)N)COC(=O)C3=CC(=C(C=C3)F)S(=O)(=O)N4CCCCC4)C

InChI

InChI=1S/C21H23FN4O4S2/c1-12-13(2)31-20-18(12)19(23)24-17(25-20)11-30-21(27)14-6-7-15(22)16(10-14)32(28,29)26-8-4-3-5-9-26/h6-7,10H,3-5,8-9,11H2,1-2H3,(H2,23,24,25)