2,5-dimethyl-4-[methyl(2-pyridin-4-ylethyl)amino]thieno[2,3-d]pyrimidine-6-carboxylic acid

Systemtic Name: 2,5-dimethyl-4-[methyl(2-pyridin-4-ylethyl)amino]thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 2,5-dimethyl-4-[methyl-[2-(4-pyridyl)ethyl]amino]thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 2,5-dimethyl-4-[methyl(2-pyridin-4-ylethyl)amino]-6-thieno[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 2,5-dimethyl-4-[methyl(2-pyridin-4-ylethyl)amino]thieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 2,5-dimethyl-4-[methyl-[2-(4-pyridyl)ethyl]amino]thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C17H18N4O2S MolecularWeight: 342.41542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)N(C)CCC3=CC=NC=C3)C)C(=O)O

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)N(C)CCC3=CC=NC=C3)C)C(=O)O

InChI

InChI=1S/C17H18N4O2S/c1-10-13-15(21(3)9-6-12-4-7-18-8-5-12)19-11(2)20-16(13)24-14(10)17(22)23/h4-5,7-8H,6,9H2,1-3H3,(H,22,23)