1-acetamido-1-tert-butyl-3-cyano-2-pyridin-3-yl-guanidine hydrate

Systemtic Name: 1-acetamido-1-tert-butyl-3-cyano-2-pyridin-3-yl-guanidine hydrate Openeye Name: 1-acetamido-1-tert-butyl-3-cyano-2-(3-pyridyl)guanidine hydrate CAS Name: 1-acetamido-1-tert-butyl-3-cyano-2-(3-pyridinyl)guanidine hydrate IUPAC Name: 1-acetamido-1-tert-butyl-3-cyano-2-pyridin-3-ylguanidine hydrate Traditional Name: 1-acetamido-1-tert-butyl-3-cyano-2-(3-pyridyl)guanidine hydrate Formula: C13H20N6O2 MolecularWeight: 292.3369

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NN(C(=NC1=CN=CC=C1)NC#N)C(C)(C)C.O

Isomeric SMILES

CC(=O)NN(C(=NC1=CN=CC=C1)NC#N)C(C)(C)C.O

InChI

InChI=1S/C13H18N6O.H2O/c1-10(20)18-19(13(2,3)4)12(16-9-14)17-11-6-5-7-15-8-11;/h5-8H,1-4H3,(H,16,17)(H,18,20);1H2