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

Systemtic Name: 5-chloranyl-4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-2-methoxy-benzoic acid Openeye Name: 5-chloro-4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-2-methoxy-benzoic acid CAS Name: 5-chloro-4-[(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)amino]-2-methoxybenzoic acid IUPAC Name: 5-chloro-4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-2-methoxybenzoic acid Traditional Name: 5-chloro-4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-2-methoxy-benzoic acid Formula: C16H14ClN3O3S MolecularWeight: 363.81866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NC3=C(C=C(C(=C3)OC)C(=O)O)Cl)C

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NC3=C(C=C(C(=C3)OC)C(=O)O)Cl)C

InChI

InChI=1S/C16H14ClN3O3S/c1-7-8(2)24-15-13(7)14(18-6-19-15)20-11-5-12(23-3)9(16(21)22)4-10(11)17/h4-6H,1-3H3,(H,21,22)(H,18,19,20)