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

Systemtic Name: 4-[(6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-4-[(6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid CAS Name: 2-hydroxy-4-[(6-methyl-5-phenyl-4-thieno[2,3-d]pyrimidinyl)amino]benzoic acid IUPAC Name: 2-hydroxy-4-[(6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid Traditional Name: 2-hydroxy-4-[(6-methyl-5-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=C(C2=C(N=CN=C2S1)NC3=CC(=C(C=C3)C(=O)O)O)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C2=C(N=CN=C2S1)NC3=CC(=C(C=C3)C(=O)O)O)C4=CC=CC=C4

InChI

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