2-[(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[(1-cyclohexyl-5-tetrazolyl)thio]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[(1-cyclohexyltetrazol-5-yl)thio]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C20H20N6OS2 MolecularWeight: 424.5424

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=N2)SCC3=NC4=C(C=C(S4)C5=CC=CC=C5)C(=O)N3

Isomeric SMILES

C1CCC(CC1)N2C(=NN=N2)SCC3=NC4=C(C=C(S4)C5=CC=CC=C5)C(=O)N3

InChI

InChI=1S/C20H20N6OS2/c27-18-15-11-16(13-7-3-1-4-8-13)29-19(15)22-17(21-18)12-28-20-23-24-25-26(20)14-9-5-2-6-10-14/h1,3-4,7-8,11,14H,2,5-6,9-10,12H2,(H,21,22,27)