2-azanyl-5-[2-(cyclopropylamino)-1-oxidanyl-ethyl]benzene-1,3-dicarbonitrile hydrochloride

Systemtic Name: 2-azanyl-5-[2-(cyclopropylamino)-1-oxidanyl-ethyl]benzene-1,3-dicarbonitrile hydrochloride Openeye Name: 2-amino-5-[2-(cyclopropylamino)-1-hydroxy-ethyl]benzene-1,3-dicarbonitrile hydrochloride CAS Name: 2-amino-5-[2-(cyclopropylamino)-1-hydroxyethyl]benzene-1,3-dicarbonitrile hydrochloride IUPAC Name: 2-amino-5-[2-(cyclopropylamino)-1-hydroxyethyl]benzene-1,3-dicarbonitrile hydrochloride Traditional Name: 2-amino-5-[2-(cyclopropylamino)-1-hydroxy-ethyl]isophthalonitrile hydrochloride Formula: C13H15ClN4O MolecularWeight: 278.7374

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NCC(C2=CC(=C(C(=C2)C#N)N)C#N)O.Cl

Isomeric SMILES

C1CC1NCC(C2=CC(=C(C(=C2)C#N)N)C#N)O.Cl

InChI

InChI=1S/C13H14N4O.ClH/c14-5-9-3-8(4-10(6-15)13(9)16)12(18)7-17-11-1-2-11;/h3-4,11-12,17-18H,1-2,7,16H2;1H