[1-[bis(azanyl)methylideneamino]-4-chloranyl-isoquinolin-7-yl]methyl 2-azanylethanoate

Systemtic Name: [1-[bis(azanyl)methylideneamino]-4-chloranyl-isoquinolin-7-yl]methyl 2-azanylethanoate Openeye Name: (4-chloro-1-guanidino-7-isoquinolyl)methyl 2-aminoacetate CAS Name: 2-aminoacetic acid [4-chloro-1-(diaminomethylideneamino)-7-isoquinolinyl]methyl ester IUPAC Name: [4-chloro-1-(diaminomethylideneamino)isoquinolin-7-yl]methyl 2-aminoacetate Traditional Name: 2-aminoacetic acid (4-chloro-1-guanidino-7-isoquinolyl)methyl ester Formula: C13H14ClN5O2 MolecularWeight: 307.73556

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1COC(=O)CN)C(=NC=C2Cl)N=C(N)N

Isomeric SMILES

C1=CC2=C(C=C1COC(=O)CN)C(=NC=C2Cl)N=C(N)N

InChI

InChI=1S/C13H14ClN5O2/c14-10-5-18-12(19-13(16)17)9-3-7(1-2-8(9)10)6-21-11(20)4-15/h1-3,5H,4,6,15H2,(H4,16,17,18,19)