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

Systemtic Name: 4-[2-(3,4-dimethoxyphenyl)ethylamino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 4-[2-(3,4-dimethoxyphenyl)ethylamino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 4-[2-(3,4-dimethoxyphenyl)ethylamino]-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 4-[2-(3,4-dimethoxyphenyl)ethylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 4-(homoveratrylamino)-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:

CC1=C(SC2=NC=NC(=C12)NCCC3=CC(=C(C=C3)OC)OC)C(=O)O

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NCCC3=CC(=C(C=C3)OC)OC)C(=O)O

InChI

InChI=1S/C18H19N3O4S/c1-10-14-16(20-9-21-17(14)26-15(10)18(22)23)19-7-6-11-4-5-12(24-2)13(8-11)25-3/h4-5,8-9H,6-7H2,1-3H3,(H,22,23)(H,19,20,21)