2-(4-azanyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-2-phenyl-ethanoic acid

Systemtic Name: 2-(4-azanyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-2-phenyl-ethanoic acid Openeye Name: 2-(4-amino-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-2-phenyl-acetic acid CAS Name: 2-[(4-amino-5,6-dimethyl-2-thieno[2,3-d]pyrimidinyl)thio]-2-phenylacetic acid IUPAC Name: 2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-2-phenylacetic acid Traditional Name: 2-[(4-amino-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)thio]-2-phenyl-acetic acid Formula: C16H15N3O2S2 MolecularWeight: 345.4392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)N)SC(C3=CC=CC=C3)C(=O)O)C

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)N)SC(C3=CC=CC=C3)C(=O)O)C

InChI

InChI=1S/C16H15N3O2S2/c1-8-9(2)22-14-11(8)13(17)18-16(19-14)23-12(15(20)21)10-6-4-3-5-7-10/h3-7,12H,1-2H3,(H,20,21)(H2,17,18,19)