1-cyano-3-(2-methylbutan-2-yl)-2-(pyridin-4-ylmethyl)guanidine hydrate

Systemtic Name: 1-cyano-3-(2-methylbutan-2-yl)-2-(pyridin-4-ylmethyl)guanidine hydrate Openeye Name: 1-cyano-3-(1,1-dimethylpropyl)-2-(4-pyridylmethyl)guanidine hydrate CAS Name: 1-cyano-3-(2-methylbutan-2-yl)-2-(pyridin-4-ylmethyl)guanidine hydrate IUPAC Name: 1-cyano-3-(2-methylbutan-2-yl)-2-(pyridin-4-ylmethyl)guanidine hydrate Traditional Name: 1-tert-amyl-3-cyano-2-(4-pyridylmethyl)guanidine hydrate Formula: C13H21N5O MolecularWeight: 263.33874

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC(=NCC1=CC=NC=C1)NC#N.O

Isomeric SMILES

CCC(C)(C)NC(=NCC1=CC=NC=C1)NC#N.O

InChI

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