tert-butyl 3-[[4-[carbamimidoyl(chloranyl)amino]isoquinolin-7-yl]carbonylamino]propanoate

Systemtic Name: tert-butyl 3-[[4-[carbamimidoyl(chloranyl)amino]isoquinolin-7-yl]carbonylamino]propanoate Openeye Name: tert-butyl 3-[[4-[carbamimidoyl(chloro)amino]isoquinoline-7-carbonyl]amino]propanoate CAS Name: 3-[[[4-[carbamimidoyl(chloro)amino]-7-isoquinolinyl]-oxomethyl]amino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[4-[carbamimidoyl(chloro)amino]isoquinoline-7-carbonyl]amino]propanoate Traditional Name: 3-[[4-[amidino(chloro)amino]isoquinoline-7-carbonyl]amino]propionic acid tert-butyl ester Formula: C18H22ClN5O3 MolecularWeight: 391.85198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22ClN5O3/c1-18(2,3)27-15(25)6-7-23-16(26)11-4-5-13-12(8-11)9-22-10-14(13)24(19)17(20)21/h4-5,8-10H,6-7H2,1-3H3,(H3,20,21)(H,23,26)