4-[(5,6-dimethyl-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzoic acid

Systemtic Name: 4-[(5,6-dimethyl-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzoic acid Openeye Name: 4-[(3-allyl-5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzoic acid CAS Name: 4-[[(5,6-dimethyl-4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]methyl]benzoic acid IUPAC Name: 4-[(5,6-dimethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzoic acid Traditional Name: 4-[[(3-allyl-4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)thio]methyl]benzoic acid Formula: C19H18N2O3S2 MolecularWeight: 386.48782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=CC=C(C=C3)C(=O)O)CC=C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=CC=C(C=C3)C(=O)O)CC=C)C

InChI

InChI=1S/C19H18N2O3S2/c1-4-9-21-17(22)15-11(2)12(3)26-16(15)20-19(21)25-10-13-5-7-14(8-6-13)18(23)24/h4-8H,1,9-10H2,2-3H3,(H,23,24)