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

Systemtic Name: 4-[[5-(4-bromophenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]benzoic acid Openeye Name: 4-[[5-(4-bromophenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]benzoic acid CAS Name: 4-[[5-(4-bromophenyl)-6-methyl-4-thieno[2,3-d]pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[[5-(4-bromophenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]benzoic acid Traditional Name: 4-[[5-(4-bromophenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]benzoic acid Formula: C20H14BrN3O2S MolecularWeight: 440.31306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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