4-[4-[(3-chloranyl-4-oxidanyl-phenyl)methylamino]-[1]benzothiolo[2,3-d]pyrimidin-2-yl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[4-[(3-chloranyl-4-oxidanyl-phenyl)methylamino]-[1]benzothiolo[2,3-d]pyrimidin-2-yl]cyclohexane-1-carboxylic acid Openeye Name: 4-[4-[(3-chloro-4-hydroxy-phenyl)methylamino]benzothiopheno[2,3-d]pyrimidin-2-yl]cyclohexanecarboxylic acid CAS Name: 4-[4-[(3-chloro-4-hydroxyphenyl)methylamino]-[1]benzothiolo[2,3-d]pyrimidin-2-yl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[4-[(3-chloro-4-hydroxyphenyl)methylamino]-[1]benzothiolo[2,3-d]pyrimidin-2-yl]cyclohexane-1-carboxylic acid Traditional Name: 4-[4-[(3-chloro-4-hydroxy-benzyl)amino]benzothiopheno[2,3-d]pyrimidin-2-yl]cyclohexanecarboxylic acid Formula: C24H22ClN3O3S MolecularWeight: 467.96778

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C2=NC(=C3C4=CC=CC=C4SC3=N2)NCC5=CC(=C(C=C5)O)Cl)C(=O)O

Isomeric SMILES

C1CC(CCC1C2=NC(=C3C4=CC=CC=C4SC3=N2)NCC5=CC(=C(C=C5)O)Cl)C(=O)O

InChI

InChI=1S/C24H22ClN3O3S/c25-17-11-13(5-10-18(17)29)12-26-22-20-16-3-1-2-4-19(16)32-23(20)28-21(27-22)14-6-8-15(9-7-14)24(30)31/h1-5,10-11,14-15,29H,6-9,12H2,(H,30,31)(H,26,27,28)