3-[2-(cyclohexen-1-yl)ethyl]-6-(phenylmethyl)-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-[2-(cyclohexen-1-yl)ethyl]-6-(phenylmethyl)-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-benzyl-3-[2-(cyclohexen-1-yl)ethyl]-2-thioxo-1H-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[2-(1-cyclohexenyl)ethyl]-6-(phenylmethyl)-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 6-benzyl-3-[2-(cyclohexen-1-yl)ethyl]-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 6-benzyl-3-[2-(cyclohexen-1-yl)ethyl]-2-thioxo-1H-thieno[2,3-d]pyrimidin-4-one Formula: C21H22N2OS2 MolecularWeight: 382.54218

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCN2C(=O)C3=C(NC2=S)SC(=C3)CC4=CC=CC=C4

Isomeric SMILES

C1CCC(=CC1)CCN2C(=O)C3=C(NC2=S)SC(=C3)CC4=CC=CC=C4

InChI

InChI=1S/C21H22N2OS2/c24-20-18-14-17(13-16-9-5-2-6-10-16)26-19(18)22-21(25)23(20)12-11-15-7-3-1-4-8-15/h2,5-7,9-10,14H,1,3-4,8,11-13H2,(H,22,25)