2-[(4-azanyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]pyridine-3-carboxylic acid

Systemtic Name: 2-[(4-azanyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]pyridine-3-carboxylic acid Openeye Name: 2-[(4-amino-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]pyridine-3-carboxylic acid CAS Name: 2-[(4-amino-5,6-dimethyl-2-thieno[2,3-d]pyrimidinyl)methylthio]-3-pyridinecarboxylic acid IUPAC Name: 2-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]pyridine-3-carboxylic acid Traditional Name: 2-[(4-amino-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)methylthio]nicotinic acid Formula: C15H14N4O2S2 MolecularWeight: 346.42726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)N)CSC3=C(C=CC=N3)C(=O)O)C

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)N)CSC3=C(C=CC=N3)C(=O)O)C

InChI

InChI=1S/C15H14N4O2S2/c1-7-8(2)23-14-11(7)12(16)18-10(19-14)6-22-13-9(15(20)21)4-3-5-17-13/h3-5H,6H2,1-2H3,(H,20,21)(H2,16,18,19)