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

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethylamino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 4-(1,3-benzodioxol-5-ylmethylamino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 4-(1,3-benzodioxol-5-ylmethylamino)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 4-(1,3-benzodioxol-5-ylmethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 5-methyl-4-(piperonylamino)thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C16H13N3O4S MolecularWeight: 343.35712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13N3O4S/c1-8-12-14(18-6-19-15(12)24-13(8)16(20)21)17-5-9-2-3-10-11(4-9)23-7-22-10/h2-4,6H,5,7H2,1H3,(H,20,21)(H,17,18,19)