2-(2-cyclohexyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-yl)sulfanylethanoic acid

Systemtic Name: 2-(2-cyclohexyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-yl)sulfanylethanoic acid Openeye Name: 2-(2-cyclohexyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid CAS Name: 2-[(2-cyclohexyl-5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)thio]acetic acid IUPAC Name: 2-(2-cyclohexyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid Traditional Name: 2-[(2-cyclohexyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-yl)thio]acetic acid Formula: C16H20N2O2S2 MolecularWeight: 336.4722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=NC(=N2)C3CCCCC3)SCC(=O)O)C

Isomeric SMILES

CC1=C(SC2=C1C(=NC(=N2)C3CCCCC3)SCC(=O)O)C

InChI

InChI=1S/C16H20N2O2S2/c1-9-10(2)22-16-13(9)15(21-8-12(19)20)17-14(18-16)11-6-4-3-5-7-11/h11H,3-8H2,1-2H3,(H,19,20)