3-cyclopentyl-2-[(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-cyclopentyl-2-[(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-cyclopentyl-2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-cyclopentyl-2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylthio]-5,6-dimethyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-cyclopentyl-2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-cyclopentyl-2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylthio]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one Formula: C22H23FN2O3S2 MolecularWeight: 446.558023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=C4C(=CC(=C3)F)COCO4)C5CCCC5)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=C4C(=CC(=C3)F)COCO4)C5CCCC5)C

InChI

InChI=1S/C22H23FN2O3S2/c1-12-13(2)30-20-18(12)21(26)25(17-5-3-4-6-17)22(24-20)29-10-15-8-16(23)7-14-9-27-11-28-19(14)15/h7-8,17H,3-6,9-11H2,1-2H3