1-(2-azanylethyl)-4-methyl-2-oxidanyl-6-oxidanylidene-pyridine-3-carbonitrile; [1-(3-azanylpropyl)-4-methyl-2-oxidanyl-6-oxidanylidene-pyridin-3-yl]methanesulfonic acid

Systemtic Name: 1-(2-azanylethyl)-4-methyl-2-oxidanyl-6-oxidanylidene-pyridine-3-carbonitrile; [1-(3-azanylpropyl)-4-methyl-2-oxidanyl-6-oxidanylidene-pyridin-3-yl]methanesulfonic acid Openeye Name: 1-(2-aminoethyl)-2-hydroxy-4-methyl-6-oxo-pyridine-3-carbonitrile; [1-(3-aminopropyl)-2-hydroxy-4-methyl-6-oxo-3-pyridyl]methanesulfonic acid CAS Name: 1-(2-aminoethyl)-2-hydroxy-4-methyl-6-oxo-3-pyridinecarbonitrile; [1-(3-aminopropyl)-2-hydroxy-4-methyl-6-oxo-3-pyridinyl]methanesulfonic acid IUPAC Name: 1-(2-aminoethyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile; [1-(3-aminopropyl)-2-hydroxy-4-methyl-6-oxopyridin-3-yl]methanesulfonic acid Traditional Name: 1-(2-aminoethyl)-2-hydroxy-6-keto-4-methyl-nicotinonitrile; [1-(3-aminopropyl)-2-hydroxy-6-keto-4-methyl-3-pyridyl]methanesulfonic acid Formula: C19H27N5O7S MolecularWeight: 469.51198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C(=C1CS(=O)(=O)O)O)CCCN.CC1=CC(=O)N(C(=C1C#N)O)CCN

Isomeric SMILES

CC1=CC(=O)N(C(=C1CS(=O)(=O)O)O)CCCN.CC1=CC(=O)N(C(=C1C#N)O)CCN

InChI

InChI=1S/C10H16N2O5S.C9H11N3O2/c1-7-5-9(13)12(4-2-3-11)10(14)8(7)6-18(15,16)17;1-6-4-8(13)12(3-2-10)9(14)7(6)5-11/h5,14H,2-4,6,11H2,1H3,(H,15,16,17);4,14H,2-3,10H2,1H3