5,6-dimethyl-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5,6-dimethyl-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5,6-dimethyl-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5,6-dimethyl-2-[[(3-phenyl-1,2,4-oxadiazol-5-yl)methylthio]methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5,6-dimethyl-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5,6-dimethyl-2-[[(3-phenyl-1,2,4-oxadiazol-5-yl)methylthio]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C18H16N4O2S2 MolecularWeight: 384.47524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CSCC3=NC(=NO3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CSCC3=NC(=NO3)C4=CC=CC=C4)C

InChI

InChI=1S/C18H16N4O2S2/c1-10-11(2)26-18-15(10)17(23)19-13(20-18)8-25-9-14-21-16(22-24-14)12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3,(H,19,20,23)