4-(1,3-benzodioxol-5-ylmethylamino)-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethylamino)-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 4-(1,3-benzodioxol-5-ylmethylamino)-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 4-(1,3-benzodioxol-5-ylmethylamino)-2,5-dimethyl-6-thieno[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 4-(1,3-benzodioxol-5-ylmethylamino)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 2,5-dimethyl-4-(piperonylamino)thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C17H15N3O4S MolecularWeight: 357.3837

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)NCC3=CC4=C(C=C3)OCO4)C)C(=O)O

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)NCC3=CC4=C(C=C3)OCO4)C)C(=O)O

InChI

InChI=1S/C17H15N3O4S/c1-8-13-15(19-9(2)20-16(13)25-14(8)17(21)22)18-6-10-3-4-11-12(5-10)24-7-23-11/h3-5H,6-7H2,1-2H3,(H,21,22)(H,18,19,20)