2-[1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl]sulfanyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl]sulfanyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-2-[2-(4-ethylphenyl)-1-methyl-2-oxo-ethyl]sulfanyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[1-(4-ethylphenyl)-1-oxopropan-2-yl]thio]-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[1-(4-ethylphenyl)-1-oxopropan-2-yl]sulfanyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-2-[[2-(4-ethylphenyl)-2-keto-1-methyl-ethyl]thio]thieno[2,3-d]pyrimidin-4-one Formula: C20H20N2O2S2 MolecularWeight: 384.515

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(C)SC2=NC3=C(C=CS3)C(=O)N2CC=C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)C(C)SC2=NC3=C(C=CS3)C(=O)N2CC=C

InChI

InChI=1S/C20H20N2O2S2/c1-4-11-22-19(24)16-10-12-25-18(16)21-20(22)26-13(3)17(23)15-8-6-14(5-2)7-9-15/h4,6-10,12-13H,1,5,11H2,2-3H3