(E)-2-azanyl-5-[[azanyl-(prop-2-ynylamino)methylidene]amino]pent-3-enoic acid

Systemtic Name: (E)-2-azanyl-5-[[azanyl-(prop-2-ynylamino)methylidene]amino]pent-3-enoic acid Openeye Name: (E)-2-amino-5-[[amino-(prop-2-ynylamino)methylene]amino]pent-3-enoic acid CAS Name: (E)-2-amino-5-[[amino-(prop-2-ynylamino)methylidene]amino]-3-pentenoic acid IUPAC Name: (E)-2-amino-5-[[amino-(prop-2-ynylamino)methylidene]amino]pent-3-enoic acid Traditional Name: (E)-2-amino-5-[[amino-(propargylamino)methylene]amino]pent-3-enoic acid Formula: C9H14N4O2 MolecularWeight: 210.23306

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=NCC=CC(C(=O)O)N)N

Isomeric SMILES

C#CCNC(=NC/C=C/C(C(=O)O)N)N

InChI

InChI=1S/C9H14N4O2/c1-2-5-12-9(11)13-6-3-4-7(10)8(14)15/h1,3-4,7H,5-6,10H2,(H,14,15)(H3,11,12,13)/b4-3+