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

Systemtic Name: 3-cyclopentyl-5,6-dimethyl-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-cyclopentyl-5,6-dimethyl-2-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 3-cyclopentyl-5,6-dimethyl-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylthio]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-cyclopentyl-5,6-dimethyl-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-cyclopentyl-5,6-dimethyl-2-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methylthio]thieno[2,3-d]pyrimidin-4-one Formula: C20H20N4O2S3 MolecularWeight: 444.5934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=NC(=NO3)C4=CC=CS4)C5CCCC5)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=NC(=NO3)C4=CC=CS4)C5CCCC5)C

InChI

InChI=1S/C20H20N4O2S3/c1-11-12(2)29-18-16(11)19(25)24(13-6-3-4-7-13)20(22-18)28-10-15-21-17(23-26-15)14-8-5-9-27-14/h5,8-9,13H,3-4,6-7,10H2,1-2H3