4,6-bis(azanyl)-1-(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-2-oxidanylidene-3H-pyrrolo[2,3-b]pyridine-5-carbonitrile

Systemtic Name: 4,6-bis(azanyl)-1-(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-2-oxidanylidene-3H-pyrrolo[2,3-b]pyridine-5-carbonitrile Openeye Name: 4,6-diamino-1-(2-chloro-5-pyrrolidin-1-ylsulfonyl-phenyl)-2-oxo-3H-pyrrolo[2,3-b]pyridine-5-carbonitrile CAS Name: 4,6-diamino-1-[2-chloro-5-(1-pyrrolidinylsulfonyl)phenyl]-2-oxo-3H-pyrrolo[2,3-b]pyridine-5-carbonitrile IUPAC Name: 4,6-diamino-1-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-2-oxo-3H-pyrrolo[2,3-b]pyridine-5-carbonitrile Traditional Name: 4,6-diamino-1-(2-chloro-5-pyrrolidinosulfonyl-phenyl)-2-keto-3H-pyrrolo[2,3-b]pyridine-5-carbonitrile Formula: C18H17ClN6O3S MolecularWeight: 432.88398

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)N3C(=O)CC4=C3N=C(C(=C4N)C#N)N

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)N3C(=O)CC4=C3N=C(C(=C4N)C#N)N

InChI

InChI=1S/C18H17ClN6O3S/c19-13-4-3-10(29(27,28)24-5-1-2-6-24)7-14(13)25-15(26)8-11-16(21)12(9-20)17(22)23-18(11)25/h3-4,7H,1-2,5-6,8H2,(H4,21,22,23)