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

Systemtic Name: 3-[[6-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoic acid Openeye Name: 3-[[6-methyl-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoic acid CAS Name: 3-[[6-methyl-5-(4-methylphenyl)-4-thieno[2,3-d]pyrimidinyl]amino]benzoic acid IUPAC Name: 3-[[6-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoic acid Traditional Name: 3-[[6-methyl-5-(p-tolyl)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=CC=C(C=C1)C2=C(SC3=NC=NC(=C23)NC4=CC=CC(=C4)C(=O)O)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(SC3=NC=NC(=C23)NC4=CC=CC(=C4)C(=O)O)C

InChI

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