2-azanyl-3-[1-[bis(azanyl)methylideneamino]-4-chloranyl-isoquinolin-7-yl]-3-oxidanylidene-propanoic acid

Systemtic Name: 2-azanyl-3-[1-[bis(azanyl)methylideneamino]-4-chloranyl-isoquinolin-7-yl]-3-oxidanylidene-propanoic acid Openeye Name: 2-amino-3-(4-chloro-1-guanidino-7-isoquinolyl)-3-oxo-propanoic acid CAS Name: 2-amino-3-[4-chloro-1-(diaminomethylideneamino)-7-isoquinolinyl]-3-oxopropanoic acid IUPAC Name: 2-amino-3-[4-chloro-1-(diaminomethylideneamino)isoquinolin-7-yl]-3-oxopropanoic acid Traditional Name: 2-amino-3-(4-chloro-1-guanidino-7-isoquinolyl)-3-keto-propionic acid Formula: C13H12ClN5O3 MolecularWeight: 321.71908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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