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

Systemtic Name: 5,6-dimethyl-3-phenyl-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 5,6-dimethyl-3-phenyl-2-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 5,6-dimethyl-3-phenyl-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylthio]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5,6-dimethyl-3-phenyl-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 5,6-dimethyl-3-phenyl-2-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methylthio]thieno[2,3-d]pyrimidin-4-one Formula: C21H16N4O2S3 MolecularWeight: 452.57234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=NC(=NO3)C4=CC=CS4)C5=CC=CC=C5)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=NC(=NO3)C4=CC=CS4)C5=CC=CC=C5)C

InChI

InChI=1S/C21H16N4O2S3/c1-12-13(2)30-19-17(12)20(26)25(14-7-4-3-5-8-14)21(23-19)29-11-16-22-18(24-27-16)15-9-6-10-28-15/h3-10H,11H2,1-2H3