3-azanyl-N-(2-cyanoethyl)-6-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazine-2-carboxamide

Systemtic Name: 3-azanyl-N-(2-cyanoethyl)-6-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazine-2-carboxamide Openeye Name: 3-amino-N-(2-cyanoethyl)-6-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazine-2-carboxamide CAS Name: 3-amino-N-(2-cyanoethyl)-6-[4-(1-pyrrolidinylsulfonyl)phenyl]-2-pyrazinecarboxamide IUPAC Name: 3-amino-N-(2-cyanoethyl)-6-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazine-2-carboxamide Traditional Name: 3-amino-N-(2-cyanoethyl)-6-(4-pyrrolidinosulfonylphenyl)pyrazinamide Formula: C18H20N6O3S MolecularWeight: 400.4548

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C3=CN=C(C(=N3)C(=O)NCCC#N)N

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C3=CN=C(C(=N3)C(=O)NCCC#N)N

InChI

InChI=1S/C18H20N6O3S/c19-8-3-9-21-18(25)16-17(20)22-12-15(23-16)13-4-6-14(7-5-13)28(26,27)24-10-1-2-11-24/h4-7,12H,1-3,9-11H2,(H2,20,22)(H,21,25)