2-[[1-[bis(azanyl)methylideneamino]-4-chloranyl-isoquinolin-7-yl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[1-[bis(azanyl)methylideneamino]-4-chloranyl-isoquinolin-7-yl]carbonylamino]ethanoic acid Openeye Name: 2-[(4-chloro-1-guanidino-isoquinoline-7-carbonyl)amino]acetic acid CAS Name: 2-[[[4-chloro-1-(diaminomethylideneamino)-7-isoquinolinyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[4-chloro-1-(diaminomethylideneamino)isoquinoline-7-carbonyl]amino]acetic acid Traditional Name: 2-[(4-chloro-1-guanidino-isoquinoline-7-carbonyl)amino]acetic acid Formula: C13H12ClN5O3 MolecularWeight: 321.71908

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)NCC(=O)O)C(=NC=C2Cl)N=C(N)N

Isomeric SMILES

C1=CC2=C(C=C1C(=O)NCC(=O)O)C(=NC=C2Cl)N=C(N)N

InChI

InChI=1S/C13H12ClN5O3/c14-9-4-17-11(19-13(15)16)8-3-6(1-2-7(8)9)12(22)18-5-10(20)21/h1-4H,5H2,(H,18,22)(H,20,21)(H4,15,16,17,19)