N-tert-butyl-N-(N-cyano-N'-pyridin-3-yl-carbamimidoyl)ethanamide hydrate

Systemtic Name: N-tert-butyl-N-(N-cyano-N'-pyridin-3-yl-carbamimidoyl)ethanamide hydrate Openeye Name: N-tert-butyl-N-[N-cyano-N'-(3-pyridyl)carbamimidoyl]acetamide hydrate CAS Name: N-tert-butyl-N-[(cyanoamino)-(3-pyridinylimino)methyl]acetamide hydrate IUPAC Name: N-tert-butyl-N-(N-cyano-N'-pyridin-3-ylcarbamimidoyl)acetamide hydrate Traditional Name: N-tert-butyl-N-[N-cyano-N'-(3-pyridyl)amidino]acetamide hydrate Formula: C13H19N5O2 MolecularWeight: 277.32226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N5O.H2O/c1-10(19)18(13(2,3)4)12(16-9-14)17-11-6-5-7-15-8-11;/h5-8H,1-4H3,(H,16,17);1H2