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

Systemtic Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-methyl-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)NC3=CC4=C(C=C3)OCCO4)C(=O)O

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NC3=CC4=C(C=C3)OCCO4)C(=O)O

InChI

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