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

Systemtic Name: 4-(1,3-benzodioxol-5-ylamino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 4-(1,3-benzodioxol-5-ylamino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 4-(1,3-benzodioxol-5-ylamino)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 4-(1,3-benzodioxol-5-ylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 4-(1,3-benzodioxol-5-ylamino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C15H11N3O4S MolecularWeight: 329.33054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NC3=CC4=C(C=C3)OCO4)C(=O)O

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NC3=CC4=C(C=C3)OCO4)C(=O)O

InChI

InChI=1S/C15H11N3O4S/c1-7-11-13(16-5-17-14(11)23-12(7)15(19)20)18-8-2-3-9-10(4-8)22-6-21-9/h2-5H,6H2,1H3,(H,19,20)(H,16,17,18)