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

Systemtic Name: tert-butyl 2-[[1-[bis(azanyl)methylideneamino]-4-chloranyl-isoquinolin-7-yl]carbonylamino]ethanoate Openeye Name: tert-butyl 2-[(4-chloro-1-guanidino-isoquinoline-7-carbonyl)amino]acetate CAS Name: 2-[[[4-chloro-1-(diaminomethylideneamino)-7-isoquinolinyl]-oxomethyl]amino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[4-chloro-1-(diaminomethylideneamino)isoquinoline-7-carbonyl]amino]acetate Traditional Name: 2-[(4-chloro-1-guanidino-isoquinoline-7-carbonyl)amino]acetic acid tert-butyl ester Formula: C17H20ClN5O3 MolecularWeight: 377.8254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20ClN5O3/c1-17(2,3)26-13(24)8-22-15(25)9-4-5-10-11(6-9)14(23-16(19)20)21-7-12(10)18/h4-7H,8H2,1-3H3,(H,22,25)(H4,19,20,21,23)