4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-2-oxidanyl-benzoic acid

Systemtic Name: 4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-2-oxidanyl-benzoic acid Openeye Name: 4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-2-hydroxy-benzoic acid CAS Name: 4-[(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)amino]-2-hydroxybenzoic acid IUPAC Name: 4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-2-hydroxybenzoic acid Traditional Name: 4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-2-hydroxy-benzoic acid Formula: C15H13N3O3S MolecularWeight: 315.34702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NC3=CC(=C(C=C3)C(=O)O)O)C

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NC3=CC(=C(C=C3)C(=O)O)O)C

InChI

InChI=1S/C15H13N3O3S/c1-7-8(2)22-14-12(7)13(16-6-17-14)18-9-3-4-10(15(20)21)11(19)5-9/h3-6,19H,1-2H3,(H,20,21)(H,16,17,18)