2-[(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-5-(4-fluorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-5-(4-fluorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-5-(4-fluorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[(1-cyclopropyl-5-tetrazolyl)thio]methyl]-5-(4-fluorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-5-(4-fluorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[(1-cyclopropyltetrazol-5-yl)thio]methyl]-5-(4-fluorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C17H13FN6OS2 MolecularWeight: 400.453123

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=N2)SCC3=NC4=C(C(=CS4)C5=CC=C(C=C5)F)C(=O)N3

Isomeric SMILES

C1CC1N2C(=NN=N2)SCC3=NC4=C(C(=CS4)C5=CC=C(C=C5)F)C(=O)N3

InChI

InChI=1S/C17H13FN6OS2/c18-10-3-1-9(2-4-10)12-7-26-16-14(12)15(25)19-13(20-16)8-27-17-21-22-23-24(17)11-5-6-11/h1-4,7,11H,5-6,8H2,(H,19,20,25)