4-(2-aminocarbonylpyrrolidin-1-yl)-2-phenyl-7-(phenylsulfonyl)pyrrolo[2,3-d]pyrimidine-6-carboxylic acid

Systemtic Name: 4-(2-aminocarbonylpyrrolidin-1-yl)-2-phenyl-7-(phenylsulfonyl)pyrrolo[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 7-(benzenesulfonyl)-4-(2-carbamoylpyrrolidin-1-yl)-2-phenyl-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 7-(benzenesulfonyl)-4-(2-carbamoyl-1-pyrrolidinyl)-2-phenyl-6-pyrrolo[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 7-(benzenesulfonyl)-4-(2-carbamoylpyrrolidin-1-yl)-2-phenylpyrrolo[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 7-besyl-4-(2-carbamoylpyrrolidino)-2-phenyl-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid Formula: C24H21N5O5S MolecularWeight: 491.51904

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=NC(=NC3=C2C=C(N3S(=O)(=O)C4=CC=CC=C4)C(=O)O)C5=CC=CC=C5)C(=O)N

Isomeric SMILES

C1CC(N(C1)C2=NC(=NC3=C2C=C(N3S(=O)(=O)C4=CC=CC=C4)C(=O)O)C5=CC=CC=C5)C(=O)N

InChI

InChI=1S/C24H21N5O5S/c25-20(30)18-12-7-13-28(18)22-17-14-19(24(31)32)29(35(33,34)16-10-5-2-6-11-16)23(17)27-21(26-22)15-8-3-1-4-9-15/h1-6,8-11,14,18H,7,12-13H2,(H2,25,30)(H,31,32)