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

Systemtic Name: 4-[ethyl(2-pyridin-4-ylethyl)amino]-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 4-[ethyl-[2-(4-pyridyl)ethyl]amino]-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 4-[ethyl(2-pyridin-4-ylethyl)amino]-2,5-dimethyl-6-thieno[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 4-[ethyl(2-pyridin-4-ylethyl)amino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 4-[ethyl-[2-(4-pyridyl)ethyl]amino]-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C18H20N4O2S MolecularWeight: 356.442

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCC1=CC=NC=C1)C2=C3C(=C(SC3=NC(=N2)C)C(=O)O)C

Isomeric SMILES

CCN(CCC1=CC=NC=C1)C2=C3C(=C(SC3=NC(=N2)C)C(=O)O)C

InChI

InChI=1S/C18H20N4O2S/c1-4-22(10-7-13-5-8-19-9-6-13)16-14-11(2)15(18(23)24)25-17(14)21-12(3)20-16/h5-6,8-9H,4,7,10H2,1-3H3,(H,23,24)