5-azanyl-2-chloranyl-4-(methoxymethyl)-6-methyl-pyridine-3-carbonitrile hydrate

Systemtic Name: 5-azanyl-2-chloranyl-4-(methoxymethyl)-6-methyl-pyridine-3-carbonitrile hydrate Openeye Name: 5-amino-2-chloro-4-(methoxymethyl)-6-methyl-pyridine-3-carbonitrile hydrate CAS Name: 5-amino-2-chloro-4-(methoxymethyl)-6-methyl-3-pyridinecarbonitrile hydrate IUPAC Name: 5-amino-2-chloro-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile hydrate Traditional Name: 5-amino-2-chloro-4-(methoxymethyl)-6-methyl-nicotinonitrile hydrate Formula: C9H12ClN3O2 MolecularWeight: 229.66348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=N1)Cl)C#N)COC)N.O

Isomeric SMILES

CC1=C(C(=C(C(=N1)Cl)C#N)COC)N.O

InChI

InChI=1S/C9H10ClN3O.H2O/c1-5-8(12)7(4-14-2)6(3-11)9(10)13-5;/h4,12H2,1-2H3;1H2