(2S,3R)-N'-(2-azanylethyl)-2-cyano-3-methyl-3-(4-methylphenyl)oxirane-2-carboximidamide

Systemtic Name: (2S,3R)-N'-(2-azanylethyl)-2-cyano-3-methyl-3-(4-methylphenyl)oxirane-2-carboximidamide Openeye Name: (2S,3R)-N'-(2-aminoethyl)-2-cyano-3-methyl-3-(p-tolyl)oxirane-2-carboxamidine CAS Name: (2S,3R)-N'-(2-aminoethyl)-2-cyano-3-methyl-3-(4-methylphenyl)-2-oxiranecarboximidamide IUPAC Name: (2S,3R)-N'-(2-aminoethyl)-2-cyano-3-methyl-3-(4-methylphenyl)oxirane-2-carboximidamide Traditional Name: (2S,3R)-N'-(2-aminoethyl)-2-cyano-3-methyl-3-(p-tolyl)oxirane-2-carboxamidine Formula: C14H18N4O MolecularWeight: 258.31892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2(C(O2)(C#N)C(=NCCN)N)C

Isomeric SMILES

CC1=CC=C(C=C1)[C@@]2([C@](O2)(C#N)C(=NCCN)N)C

InChI

InChI=1S/C14H18N4O/c1-10-3-5-11(6-4-10)13(2)14(9-16,19-13)12(17)18-8-7-15/h3-6H,7-8,15H2,1-2H3,(H2,17,18)/t13-,14+/m1/s1