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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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