4-[bis(2-hydroxyethyl)amino]-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid

Systemtic Name: 4-[bis(2-hydroxyethyl)amino]-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 4-[bis(2-hydroxyethyl)amino]-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 4-[bis(2-hydroxyethyl)amino]-2,5-dimethyl-6-thieno[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 4-[bis(2-hydroxyethyl)amino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 4-[bis(2-hydroxyethyl)amino]-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C13H17N3O4S MolecularWeight: 311.35678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)N(CCO)CCO)C)C(=O)O

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)N(CCO)CCO)C)C(=O)O

InChI

InChI=1S/C13H17N3O4S/c1-7-9-11(16(3-5-17)4-6-18)14-8(2)15-12(9)21-10(7)13(19)20/h17-18H,3-6H2,1-2H3,(H,19,20)