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

Systemtic Name: 5-[(2-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-5-[(2-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid CAS Name: 2-hydroxy-5-[(2-methyl-6-phenyl-4-thieno[2,3-d]pyrimidinyl)amino]benzoic acid IUPAC Name: 2-hydroxy-5-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid Traditional Name: 2-hydroxy-5-[(2-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid Formula: C20H15N3O3S MolecularWeight: 377.4164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C2C=C(SC2=N1)C3=CC=CC=C3)NC4=CC(=C(C=C4)O)C(=O)O

Isomeric SMILES

CC1=NC(=C2C=C(SC2=N1)C3=CC=CC=C3)NC4=CC(=C(C=C4)O)C(=O)O

InChI

InChI=1S/C20H15N3O3S/c1-11-21-18(23-13-7-8-16(24)14(9-13)20(25)26)15-10-17(27-19(15)22-11)12-5-3-2-4-6-12/h2-10,24H,1H3,(H,25,26)(H,21,22,23)