2-[[1-[bis(azanyl)methylideneamino]-4-chloranyl-isoquinolin-7-yl]carbonylamino]butanedioic acid

Systemtic Name: 2-[[1-[bis(azanyl)methylideneamino]-4-chloranyl-isoquinolin-7-yl]carbonylamino]butanedioic acid Openeye Name: 2-[(4-chloro-1-guanidino-isoquinoline-7-carbonyl)amino]butanedioic acid CAS Name: 2-[[[4-chloro-1-(diaminomethylideneamino)-7-isoquinolinyl]-oxomethyl]amino]butanedioic acid IUPAC Name: 2-[[4-chloro-1-(diaminomethylideneamino)isoquinoline-7-carbonyl]amino]butanedioic acid Traditional Name: 2-[(4-chloro-1-guanidino-isoquinoline-7-carbonyl)amino]succinic acid Formula: C15H14ClN5O5 MolecularWeight: 379.75516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)NC(CC(=O)O)C(=O)O)C(=NC=C2Cl)N=C(N)N

Isomeric SMILES

C1=CC2=C(C=C1C(=O)NC(CC(=O)O)C(=O)O)C(=NC=C2Cl)N=C(N)N

InChI

InChI=1S/C15H14ClN5O5/c16-9-5-19-12(21-15(17)18)8-3-6(1-2-7(8)9)13(24)20-10(14(25)26)4-11(22)23/h1-3,5,10H,4H2,(H,20,24)(H,22,23)(H,25,26)(H4,17,18,19,21)