tert-butyl 2-[bis(azanyl)methylideneamino]-8-bromanyl-quinoline-3-carboxylate

Systemtic Name: tert-butyl 2-[bis(azanyl)methylideneamino]-8-bromanyl-quinoline-3-carboxylate Openeye Name: tert-butyl 8-bromo-2-guanidino-quinoline-3-carboxylate CAS Name: 8-bromo-2-(diaminomethylideneamino)-3-quinolinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 8-bromo-2-(diaminomethylideneamino)quinoline-3-carboxylate Traditional Name: 8-bromo-2-guanidino-quinoline-3-carboxylic acid tert-butyl ester Formula: C15H17BrN4O2 MolecularWeight: 365.22508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(N=C2C(=C1)C=CC=C2Br)N=C(N)N

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(N=C2C(=C1)C=CC=C2Br)N=C(N)N

InChI

InChI=1S/C15H17BrN4O2/c1-15(2,3)22-13(21)9-7-8-5-4-6-10(16)11(8)19-12(9)20-14(17)18/h4-7H,1-3H3,(H4,17,18,19,20)