1-[2-(5,6-dimethyl-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-(5,6-dimethyl-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-(3-allyl-5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]piperidine-4-carboxylic acid CAS Name: 1-[2-[(5,6-dimethyl-4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]-1-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-(5,6-dimethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[(3-allyl-4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)thio]acetyl]isonipecotic acid Formula: C19H23N3O4S2 MolecularWeight: 421.53362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)N3CCC(CC3)C(=O)O)CC=C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)N3CCC(CC3)C(=O)O)CC=C)C

InChI

InChI=1S/C19H23N3O4S2/c1-4-7-22-17(24)15-11(2)12(3)28-16(15)20-19(22)27-10-14(23)21-8-5-13(6-9-21)18(25)26/h4,13H,1,5-10H2,2-3H3,(H,25,26)