3-(3-methylbutyl)-2-(phenylmethylsulfanyl)thieno[3,2-d]pyrimidin-4-one

Systemtic Name: 3-(3-methylbutyl)-2-(phenylmethylsulfanyl)thieno[3,2-d]pyrimidin-4-one Openeye Name: 2-benzylsulfanyl-3-isopentyl-thieno[3,2-d]pyrimidin-4-one CAS Name: 3-(3-methylbutyl)-2-(phenylmethylthio)-4-thieno[3,2-d]pyrimidinone IUPAC Name: 2-benzylsulfanyl-3-(3-methylbutyl)thieno[3,2-d]pyrimidin-4-one Traditional Name: 2-(benzylthio)-3-isoamyl-thieno[3,2-d]pyrimidin-4-one Formula: C18H20N2OS2 MolecularWeight: 344.4942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=C(C=CS2)N=C1SCC3=CC=CC=C3

Isomeric SMILES

CC(C)CCN1C(=O)C2=C(C=CS2)N=C1SCC3=CC=CC=C3

InChI

InChI=1S/C18H20N2OS2/c1-13(2)8-10-20-17(21)16-15(9-11-22-16)19-18(20)23-12-14-6-4-3-5-7-14/h3-7,9,11,13H,8,10,12H2,1-2H3