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

Systemtic Name: 4-[(3,4-diethoxyphenyl)amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 4-(3,4-diethoxyanilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 4-(3,4-diethoxyanilino)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 4-(3,4-diethoxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 4-(3,4-diethoxyanilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C18H19N3O4S MolecularWeight: 373.42616

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC2=C3C(=C(SC3=NC=N2)C(=O)O)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC2=C3C(=C(SC3=NC=N2)C(=O)O)C)OCC

InChI

InChI=1S/C18H19N3O4S/c1-4-24-12-7-6-11(8-13(12)25-5-2)21-16-14-10(3)15(18(22)23)26-17(14)20-9-19-16/h6-9H,4-5H2,1-3H3,(H,22,23)(H,19,20,21)