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

Systemtic Name: 2-[5,6-dimethyl-2-(phenylmethyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylethanoic acid Openeye Name: 2-(2-benzyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid CAS Name: 2-[[5,6-dimethyl-2-(phenylmethyl)-4-thieno[2,3-d]pyrimidinyl]thio]acetic acid IUPAC Name: 2-(2-benzyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid Traditional Name: 2-[(2-benzyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-yl)thio]acetic acid Formula: C17H16N2O2S2 MolecularWeight: 344.45114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=NC(=N2)CC3=CC=CC=C3)SCC(=O)O)C

Isomeric SMILES

CC1=C(SC2=C1C(=NC(=N2)CC3=CC=CC=C3)SCC(=O)O)C

InChI

InChI=1S/C17H16N2O2S2/c1-10-11(2)23-17-15(10)16(22-9-14(20)21)18-13(19-17)8-12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3,(H,20,21)