(2S)-2-azanyl-3-[4-[(5-azanyl-1H-1,2,4-triazol-3-yl)amino]phenyl]propanal

Systemtic Name: (2S)-2-azanyl-3-[4-[(5-azanyl-1H-1,2,4-triazol-3-yl)amino]phenyl]propanal Openeye Name: (2S)-2-amino-3-[4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]phenyl]propanal CAS Name: (2S)-2-amino-3-[4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]phenyl]propanal IUPAC Name: (2S)-2-amino-3-[4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]phenyl]propanal Traditional Name: (2S)-2-amino-3-[4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]phenyl]propionaldehyde Formula: C11H14N6O MolecularWeight: 246.26846

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C=O)N)NC2=NNC(=N2)N

Isomeric SMILES

C1=CC(=CC=C1C[C@@H](C=O)N)NC2=NNC(=N2)N

InChI

InChI=1S/C11H14N6O/c12-8(6-18)5-7-1-3-9(4-2-7)14-11-15-10(13)16-17-11/h1-4,6,8H,5,12H2,(H4,13,14,15,16,17)/t8-/m0/s1