2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-4-(methylthio)butyric acid Formula: C13H17N3O2S2 MolecularWeight: 311.42298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NC(CCSC)C(=O)O)C

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NC(CCSC)C(=O)O)C

InChI

InChI=1S/C13H17N3O2S2/c1-7-8(2)20-12-10(7)11(14-6-15-12)16-9(13(17)18)4-5-19-3/h6,9H,4-5H2,1-3H3,(H,17,18)(H,14,15,16)