tert-butyl 2-[[1-[bis(azanyl)methylideneamino]-4-chloranyl-isoquinolin-7-yl]methylamino]ethanoate

Systemtic Name: tert-butyl 2-[[1-[bis(azanyl)methylideneamino]-4-chloranyl-isoquinolin-7-yl]methylamino]ethanoate Openeye Name: tert-butyl 2-[(4-chloro-1-guanidino-7-isoquinolyl)methylamino]acetate CAS Name: 2-[[4-chloro-1-(diaminomethylideneamino)-7-isoquinolinyl]methylamino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[4-chloro-1-(diaminomethylideneamino)isoquinolin-7-yl]methylamino]acetate Traditional Name: 2-[(4-chloro-1-guanidino-7-isoquinolyl)methylamino]acetic acid tert-butyl ester Formula: C17H22ClN5O2 MolecularWeight: 363.84188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CNCC1=CC2=C(C=C1)C(=CN=C2N=C(N)N)Cl

Isomeric SMILES

CC(C)(C)OC(=O)CNCC1=CC2=C(C=C1)C(=CN=C2N=C(N)N)Cl

InChI

InChI=1S/C17H22ClN5O2/c1-17(2,3)25-14(24)9-21-7-10-4-5-11-12(6-10)15(23-16(19)20)22-8-13(11)18/h4-6,8,21H,7,9H2,1-3H3,(H4,19,20,22,23)