tert-butyl 2-[[4-[carbamimidoyl(chloranyl)amino]isoquinolin-7-yl]carbonylamino]ethanoate

Systemtic Name: tert-butyl 2-[[4-[carbamimidoyl(chloranyl)amino]isoquinolin-7-yl]carbonylamino]ethanoate Openeye Name: tert-butyl 2-[[4-[carbamimidoyl(chloro)amino]isoquinoline-7-carbonyl]amino]acetate CAS Name: 2-[[[4-[carbamimidoyl(chloro)amino]-7-isoquinolinyl]-oxomethyl]amino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[4-[carbamimidoyl(chloro)amino]isoquinoline-7-carbonyl]amino]acetate Traditional Name: 2-[[4-[amidino(chloro)amino]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=CN=CC(=C2C=C1)N(C(=N)N)Cl

Isomeric SMILES

CC(C)(C)OC(=O)CNC(=O)C1=CC2=CN=CC(=C2C=C1)N(C(=N)N)Cl

InChI

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