1-cyano-2-(3,3-dimethylbutan-2-yl)-3-pyridin-4-yl-guanidine hydrate

Systemtic Name: 1-cyano-2-(3,3-dimethylbutan-2-yl)-3-pyridin-4-yl-guanidine hydrate Openeye Name: 1-cyano-3-(4-pyridyl)-2-(1,2,2-trimethylpropyl)guanidine hydrate CAS Name: 1-cyano-2-(3,3-dimethylbutan-2-yl)-3-pyridin-4-ylguanidine hydrate IUPAC Name: 1-cyano-2-(3,3-dimethylbutan-2-yl)-3-pyridin-4-ylguanidine hydrate Traditional Name: 1-cyano-3-(4-pyridyl)-2-(1,2,2-trimethylpropyl)guanidine hydrate Formula: C13H21N5O MolecularWeight: 263.33874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N5.H2O/c1-10(13(2,3)4)17-12(16-9-14)18-11-5-7-15-8-6-11;/h5-8,10H,1-4H3,(H2,15,16,17,18);1H2