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

Systemtic Name: 2-[6-ethyl-2-(phenylmethyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylethanoic acid Openeye Name: 2-(2-benzyl-6-ethyl-thieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid CAS Name: 2-[[6-ethyl-2-(phenylmethyl)-4-thieno[2,3-d]pyrimidinyl]thio]acetic acid IUPAC Name: 2-(2-benzyl-6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid Traditional Name: 2-[(2-benzyl-6-ethyl-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:

CCC1=CC2=C(S1)N=C(N=C2SCC(=O)O)CC3=CC=CC=C3

Isomeric SMILES

CCC1=CC2=C(S1)N=C(N=C2SCC(=O)O)CC3=CC=CC=C3

InChI

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