6-(hydroxymethyl)-3-oxidanyl-2-[(pyridin-2-ylamino)-(3,4,5-trimethoxyphenyl)methyl]pyran-4-one

Systemtic Name: 6-(hydroxymethyl)-3-oxidanyl-2-[(pyridin-2-ylamino)-(3,4,5-trimethoxyphenyl)methyl]pyran-4-one Openeye Name: 3-hydroxy-6-(hydroxymethyl)-2-[(2-pyridylamino)-(3,4,5-trimethoxyphenyl)methyl]pyran-4-one CAS Name: 3-hydroxy-6-(hydroxymethyl)-2-[(2-pyridinylamino)-(3,4,5-trimethoxyphenyl)methyl]-4-pyranone IUPAC Name: 3-hydroxy-6-(hydroxymethyl)-2-[(pyridin-2-ylamino)-(3,4,5-trimethoxyphenyl)methyl]pyran-4-one Traditional Name: 3-hydroxy-6-methylol-2-[(2-pyridylamino)-(3,4,5-trimethoxyphenyl)methyl]pyran-4-one Formula: C21H22N2O7 MolecularWeight: 414.40858

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(C2=C(C(=O)C=C(O2)CO)O)NC3=CC=CC=N3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(C2=C(C(=O)C=C(O2)CO)O)NC3=CC=CC=N3

InChI

InChI=1S/C21H22N2O7/c1-27-15-8-12(9-16(28-2)20(15)29-3)18(23-17-6-4-5-7-22-17)21-19(26)14(25)10-13(11-24)30-21/h4-10,18,24,26H,11H2,1-3H3,(H,22,23)