6-[[2,2-bis(methoxymethyl)-3-oxidanyl-chromen-4-yl]amino]-2-methyl-pyridazin-3-one hydrate

Systemtic Name: 6-[[2,2-bis(methoxymethyl)-3-oxidanyl-chromen-4-yl]amino]-2-methyl-pyridazin-3-one hydrate Openeye Name: 6-[[3-hydroxy-2,2-bis(methoxymethyl)chromen-4-yl]amino]-2-methyl-pyridazin-3-one hydrate CAS Name: 6-[[3-hydroxy-2,2-bis(methoxymethyl)-1-benzopyran-4-yl]amino]-2-methyl-3-pyridazinone hydrate IUPAC Name: 6-[[3-hydroxy-2,2-bis(methoxymethyl)chromen-4-yl]amino]-2-methylpyridazin-3-one hydrate Traditional Name: 6-[[3-hydroxy-2,2-bis(methoxymethyl)chromen-4-yl]amino]-2-methyl-pyridazin-3-one hydrate Formula: C18H23N3O6 MolecularWeight: 377.39172

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C=CC(=N1)NC2=C(C(OC3=CC=CC=C32)(COC)COC)O.O

Isomeric SMILES

CN1C(=O)C=CC(=N1)NC2=C(C(OC3=CC=CC=C32)(COC)COC)O.O

InChI

InChI=1S/C18H21N3O5.H2O/c1-21-15(22)9-8-14(20-21)19-16-12-6-4-5-7-13(12)26-18(10-24-2,11-25-3)17(16)23;/h4-9,23H,10-11H2,1-3H3,(H,19,20);1H2