2-azanyl-1-ethyl-4-oxidanylidene-7-pyridin-4-yl-quinoline-3-carbonitrile; methanesulfonate

Systemtic Name: 2-azanyl-1-ethyl-4-oxidanylidene-7-pyridin-4-yl-quinoline-3-carbonitrile; methanesulfonate Openeye Name: 2-amino-1-ethyl-4-oxo-7-(4-pyridyl)quinoline-3-carbonitrile; methanesulfonate CAS Name: 2-amino-1-ethyl-4-oxo-7-pyridin-4-yl-3-quinolinecarbonitrile; methanesulfonate IUPAC Name: 2-amino-1-ethyl-4-oxo-7-pyridin-4-ylquinoline-3-carbonitrile; methanesulfonate Traditional Name: 2-amino-1-ethyl-4-keto-7-(4-pyridyl)quinoline-3-carbonitrile mesylate Formula: C18H17N4O4S- MolecularWeight: 385.41698

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)C3=CC=NC=C3)C(=O)C(=C1N)C#N.CS(=O)(=O)[O-]

Isomeric SMILES

CCN1C2=C(C=CC(=C2)C3=CC=NC=C3)C(=O)C(=C1N)C#N.CS(=O)(=O)[O-]

InChI

InChI=1S/C17H14N4O.CH4O3S/c1-2-21-15-9-12(11-5-7-20-8-6-11)3-4-13(15)16(22)14(10-18)17(21)19;1-5(2,3)4/h3-9H,2,19H2,1H3;1H3,(H,2,3,4)/p-1