3-azanyl-3-azanylidene-2-(pyridin-4-ylcarbonylamino)-2-sulfanyl-propanoic acid hydrochloride

Systemtic Name: 3-azanyl-3-azanylidene-2-(pyridin-4-ylcarbonylamino)-2-sulfanyl-propanoic acid hydrochloride Openeye Name: 3-amino-3-imino-2-(pyridine-4-carbonylamino)-2-sulfanyl-propanoic acid hydrochloride CAS Name: 3-amino-3-imino-2-mercapto-2-[[oxo(pyridin-4-yl)methyl]amino]propanoic acid hydrochloride IUPAC Name: 3-amino-3-imino-2-(pyridine-4-carbonylamino)-2-sulfanylpropanoic acid hydrochloride Traditional Name: 3-amino-3-imino-2-isonicotinamido-2-mercapto-propionic acid hydrochloride Formula: C9H11ClN4O3S MolecularWeight: 290.72664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1C(=O)NC(C(=N)N)(C(=O)O)S.Cl

Isomeric SMILES

C1=CN=CC=C1C(=O)NC(C(=N)N)(C(=O)O)S.Cl

InChI

InChI=1S/C9H10N4O3S.ClH/c10-7(11)9(17,8(15)16)13-6(14)5-1-3-12-4-2-5;/h1-4,17H,(H3,10,11)(H,13,14)(H,15,16);1H