2-[2-(3-cyclopentyl-5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoylamino]ethanoic acid

Systemtic Name: 2-[2-(3-cyclopentyl-5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoylamino]ethanoic acid Openeye Name: 2-[[2-(3-cyclopentyl-5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]acetic acid CAS Name: 2-[[2-[(3-cyclopentyl-5,6-dimethyl-4-oxo-2-thieno[2,3-d]pyrimidinyl)thio]-1-oxoethyl]amino]acetic acid IUPAC Name: 2-[[2-(3-cyclopentyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]acetic acid Traditional Name: 2-[[2-[(3-cyclopentyl-4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)thio]acetyl]amino]acetic acid Formula: C17H21N3O4S2 MolecularWeight: 395.49634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)NCC(=O)O)C3CCCC3)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)NCC(=O)O)C3CCCC3)C

InChI

InChI=1S/C17H21N3O4S2/c1-9-10(2)26-15-14(9)16(24)20(11-5-3-4-6-11)17(19-15)25-8-12(21)18-7-13(22)23/h11H,3-8H2,1-2H3,(H,18,21)(H,22,23)