(2R)-2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-(tert-butylcarbamoyl)propanamide

Systemtic Name: (2R)-2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-(tert-butylcarbamoyl)propanamide Openeye Name: (2R)-2-(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-(tert-butylcarbamoyl)propanamide CAS Name: (2R)-2-[(6-amino-3,5-dicyano-2-pyridin-1-iumyl)thio]-N-[(tert-butylamino)-oxomethyl]propanamide IUPAC Name: (2R)-2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-(tert-butylcarbamoyl)propanamide Traditional Name: (2R)-2-[(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)thio]-N-(tert-butylcarbamoyl)propionamide Formula: C15H19N6O2S+ MolecularWeight: 347.41536

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC(C)(C)C)SC1=C(C=C(C(=[NH+]1)N)C#N)C#N

Isomeric SMILES

C[C@H](C(=O)NC(=O)NC(C)(C)C)SC1=C(C=C(C(=[NH+]1)N)C#N)C#N

InChI

InChI=1S/C15H18N6O2S/c1-8(12(22)20-14(23)21-15(2,3)4)24-13-10(7-17)5-9(6-16)11(18)19-13/h5,8H,1-4H3,(H2,18,19)(H2,20,21,22,23)/p+1/t8-/m1/s1