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

Systemtic Name: 4-methyl-3-[[6-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoic acid Openeye Name: 4-methyl-3-[[6-methyl-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoic acid CAS Name: 4-methyl-3-[[6-methyl-5-(4-methylphenyl)-4-thieno[2,3-d]pyrimidinyl]amino]benzoic acid IUPAC Name: 4-methyl-3-[[6-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoic acid Traditional Name: 4-methyl-3-[[6-methyl-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoic acid Formula: C22H19N3O2S MolecularWeight: 389.47016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19N3O2S/c1-12-4-7-15(8-5-12)18-14(3)28-21-19(18)20(23-11-24-21)25-17-10-16(22(26)27)9-6-13(17)2/h4-11H,1-3H3,(H,26,27)(H,23,24,25)