bis(azanyl)methylidene-(3-cyclopropyl-1-quinolin-5-yl-pyrazol-4-yl)carbonyl-azanium; methanesulfonate

Systemtic Name: bis(azanyl)methylidene-(3-cyclopropyl-1-quinolin-5-yl-pyrazol-4-yl)carbonyl-azanium; methanesulfonate Openeye Name: [3-cyclopropyl-1-(5-quinolyl)pyrazole-4-carbonyl]-(diaminomethylene)ammonium; methanesulfonate CAS Name: [[3-cyclopropyl-1-(5-quinolinyl)-4-pyrazolyl]-oxomethyl]-(diaminomethylidene)ammonium; methanesulfonate IUPAC Name: (3-cyclopropyl-1-quinolin-5-ylpyrazole-4-carbonyl)-(diaminomethylidene)azanium; methanesulfonate Traditional Name: [3-cyclopropyl-1-(5-quinolyl)pyrazole-4-carbonyl]-(diaminomethylene)ammonium mesylate Formula: C18H20N6O4S MolecularWeight: 416.4542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)[O-].C1CC1C2=NN(C=C2C(=O)[NH+]=C(N)N)C3=CC=CC4=C3C=CC=N4

Isomeric SMILES

CS(=O)(=O)[O-].C1CC1C2=NN(C=C2C(=O)[NH+]=C(N)N)C3=CC=CC4=C3C=CC=N4

InChI

InChI=1S/C17H16N6O.CH4O3S/c18-17(19)21-16(24)12-9-23(22-15(12)10-6-7-10)14-5-1-4-13-11(14)3-2-8-20-13;1-5(2,3)4/h1-5,8-10H,6-7H2,(H4,18,19,21,24);1H3,(H,2,3,4)