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

Systemtic Name: 4-methyl-3-[(6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid Openeye Name: 4-methyl-3-[(6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid CAS Name: 4-methyl-3-[(6-methyl-5-phenyl-4-thieno[2,3-d]pyrimidinyl)amino]benzoic acid IUPAC Name: 4-methyl-3-[(6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid Traditional Name: 4-methyl-3-[(6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid Formula: C21H17N3O2S MolecularWeight: 375.44358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC2=C3C(=C(SC3=NC=N2)C)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC2=C3C(=C(SC3=NC=N2)C)C4=CC=CC=C4

InChI

InChI=1S/C21H17N3O2S/c1-12-8-9-15(21(25)26)10-16(12)24-19-18-17(14-6-4-3-5-7-14)13(2)27-20(18)23-11-22-19/h3-11H,1-2H3,(H,25,26)(H,22,23,24)