(2S)-N-(3-aminophenyl)-2-[bis(cyanomethyl)amino]propanamide

Systemtic Name: (2S)-N-(3-aminophenyl)-2-[bis(cyanomethyl)amino]propanamide Openeye Name: (2S)-N-(3-aminophenyl)-2-[bis(cyanomethyl)amino]propanamide CAS Name: (2S)-N-(3-aminophenyl)-2-[bis(cyanomethyl)amino]propanamide IUPAC Name: (2S)-N-(3-aminophenyl)-2-[bis(cyanomethyl)amino]propanamide Traditional Name: (2S)-N-(3-aminophenyl)-2-[bis(cyanomethyl)amino]propionamide Formula: C13H15N5O MolecularWeight: 257.2911

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC(=C1)N)N(CC#N)CC#N

InChI

InChI=1S/C13H15N5O/c1-10(18(7-5-14)8-6-15)13(19)17-12-4-2-3-11(16)9-12/h2-4,9-10H,7-8,16H2,1H3,(H,17,19)/t10-/m0/s1