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

Systemtic Name: 3-[[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-4-methyl-benzoic acid Openeye Name: 3-[[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-4-methyl-benzoic acid CAS Name: 3-[[5-(4-bromophenyl)-4-thieno[2,3-d]pyrimidinyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-4-methylbenzoic acid Traditional Name: 3-[[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-4-methyl-benzoic acid Formula: C20H14BrN3O2S MolecularWeight: 440.31306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC2=C3C(=CSC3=NC=N2)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC2=C3C(=CSC3=NC=N2)C4=CC=C(C=C4)Br

InChI

InChI=1S/C20H14BrN3O2S/c1-11-2-3-13(20(25)26)8-16(11)24-18-17-15(9-27-19(17)23-10-22-18)12-4-6-14(21)7-5-12/h2-10H,1H3,(H,25,26)(H,22,23,24)