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

Systemtic Name: 2-chloranyl-5-[(6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid Openeye Name: 2-chloro-5-[(6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid CAS Name: 2-chloro-5-[(6-methyl-5-phenyl-4-thieno[2,3-d]pyrimidinyl)amino]benzoic acid IUPAC Name: 2-chloro-5-[(6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid Traditional Name: 2-chloro-5-[(6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid Formula: C20H14ClN3O2S MolecularWeight: 395.86206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H14ClN3O2S/c1-11-16(12-5-3-2-4-6-12)17-18(22-10-23-19(17)27-11)24-13-7-8-15(21)14(9-13)20(25)26/h2-10H,1H3,(H,25,26)(H,22,23,24)