(phenylmethyl) 2-(2-cyclopropyl-5-ethyl-6-methyl-thieno[2,3-d]pyrimidin-4-yl)sulfanylethanoate

Systemtic Name: (phenylmethyl) 2-(2-cyclopropyl-5-ethyl-6-methyl-thieno[2,3-d]pyrimidin-4-yl)sulfanylethanoate Openeye Name: benzyl 2-(2-cyclopropyl-5-ethyl-6-methyl-thieno[2,3-d]pyrimidin-4-yl)sulfanylacetate CAS Name: 2-[(2-cyclopropyl-5-ethyl-6-methyl-4-thieno[2,3-d]pyrimidinyl)thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(2-cyclopropyl-5-ethyl-6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate Traditional Name: 2-[(2-cyclopropyl-5-ethyl-6-methyl-thieno[2,3-d]pyrimidin-4-yl)thio]acetic acid benzyl ester Formula: C21H22N2O2S2 MolecularWeight: 398.54158

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC2=C1C(=NC(=N2)C3CC3)SCC(=O)OCC4=CC=CC=C4)C

Isomeric SMILES

CCC1=C(SC2=C1C(=NC(=N2)C3CC3)SCC(=O)OCC4=CC=CC=C4)C

InChI

InChI=1S/C21H22N2O2S2/c1-3-16-13(2)27-21-18(16)20(22-19(23-21)15-9-10-15)26-12-17(24)25-11-14-7-5-4-6-8-14/h4-8,15H,3,9-12H2,1-2H3