2-[[4-[2-(methylamino)-3-oxidanylidene-butyl]phenyl]methyl]guanidine

Systemtic Name: 2-[[4-[2-(methylamino)-3-oxidanylidene-butyl]phenyl]methyl]guanidine Openeye Name: 2-[[4-[2-(methylamino)-3-oxo-butyl]phenyl]methyl]guanidine CAS Name: 2-[[4-[2-(methylamino)-3-oxobutyl]phenyl]methyl]guanidine IUPAC Name: 2-[[4-[2-(methylamino)-3-oxobutyl]phenyl]methyl]guanidine Traditional Name: 2-[4-[3-keto-2-(methylamino)butyl]benzyl]guanidine Formula: C13H20N4O MolecularWeight: 248.3241

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CC1=CC=C(C=C1)CN=C(N)N)NC

Isomeric SMILES

CC(=O)C(CC1=CC=C(C=C1)CN=C(N)N)NC

InChI

InChI=1S/C13H20N4O/c1-9(18)12(16-2)7-10-3-5-11(6-4-10)8-17-13(14)15/h3-6,12,16H,7-8H2,1-2H3,(H4,14,15,17)