2-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]sulfanyl-3-cyclopentyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]sulfanyl-3-cyclopentyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl]sulfanyl-3-cyclopentyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]thio]-3-cyclopentyl-5,6-dimethyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl-3-cyclopentyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[2-(1,3-benzodioxol-5-yl)-2-keto-ethyl]thio]-3-cyclopentyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one Formula: C22H22N2O4S2 MolecularWeight: 442.55108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)C3=CC4=C(C=C3)OCO4)C5CCCC5)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)C3=CC4=C(C=C3)OCO4)C5CCCC5)C

InChI

InChI=1S/C22H22N2O4S2/c1-12-13(2)30-20-19(12)21(26)24(15-5-3-4-6-15)22(23-20)29-10-16(25)14-7-8-17-18(9-14)28-11-27-17/h7-9,15H,3-6,10-11H2,1-2H3