4-chloranyl-2-phenyl-7-(phenylsulfonyl)pyrrolo[2,3-d]pyrimidine-6-carboxylic acid

Systemtic Name: 4-chloranyl-2-phenyl-7-(phenylsulfonyl)pyrrolo[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 7-(benzenesulfonyl)-4-chloro-2-phenyl-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 7-(benzenesulfonyl)-4-chloro-2-phenyl-6-pyrrolo[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 7-(benzenesulfonyl)-4-chloro-2-phenylpyrrolo[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 7-besyl-4-chloro-2-phenyl-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid Formula: C19H12ClN3O4S MolecularWeight: 413.83428

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=C(C=C(N3S(=O)(=O)C4=CC=CC=C4)C(=O)O)C(=N2)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=C(C=C(N3S(=O)(=O)C4=CC=CC=C4)C(=O)O)C(=N2)Cl

InChI

InChI=1S/C19H12ClN3O4S/c20-16-14-11-15(19(24)25)23(28(26,27)13-9-5-2-6-10-13)18(14)22-17(21-16)12-7-3-1-4-8-12/h1-11H,(H,24,25)