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

Systemtic Name: 1-cyano-3-pyridin-4-yl-2-(2,3,3-trimethylbutan-2-yl)guanidine hydrate Openeye Name: 1-cyano-3-(4-pyridyl)-2-(1,1,2,2-tetramethylpropyl)guanidine hydrate CAS Name: 1-cyano-3-pyridin-4-yl-2-(2,3,3-trimethylbutan-2-yl)guanidine hydrate IUPAC Name: 1-cyano-3-pyridin-4-yl-2-(2,3,3-trimethylbutan-2-yl)guanidine hydrate Traditional Name: 1-cyano-3-(4-pyridyl)-2-(1,1,2,2-tetramethylpropyl)guanidine hydrate Formula: C14H23N5O MolecularWeight: 277.36532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N5.H2O/c1-13(2,3)14(4,5)19-12(17-10-15)18-11-6-8-16-9-7-11;/h6-9H,1-5H3,(H2,16,17,18,19);1H2