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

Systemtic Name: 5-[[5-(4-bromophenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]-2-oxidanyl-benzoic acid Openeye Name: 5-[[5-(4-bromophenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]-2-hydroxy-benzoic acid CAS Name: 5-[[5-(4-bromophenyl)-6-methyl-4-thieno[2,3-d]pyrimidinyl]amino]-2-hydroxybenzoic acid IUPAC Name: 5-[[5-(4-bromophenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]-2-hydroxybenzoic acid Traditional Name: 5-[[5-(4-bromophenyl)-6-methyl-thieno[2,3-d]pyrimidin-4-yl]amino]-2-hydroxy-benzoic acid Formula: C20H14BrN3O3S MolecularWeight: 456.31246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H14BrN3O3S/c1-10-16(11-2-4-12(21)5-3-11)17-18(22-9-23-19(17)28-10)24-13-6-7-15(25)14(8-13)20(26)27/h2-9,25H,1H3,(H,26,27)(H,22,23,24)