2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-8-(1-methyl-3-oxidanyl-piperidin-4-yl)-5,7-bis(oxidanyl)chromen-4-one

Systemtic Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-8-(1-methyl-3-oxidanyl-piperidin-4-yl)-5,7-bis(oxidanyl)chromen-4-one Openeye Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-5,7-dihydroxy-8-(3-hydroxy-1-methyl-4-piperidyl)chromen-4-one CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]-5,7-dihydroxy-8-(3-hydroxy-1-methyl-4-piperidinyl)-1-benzopyran-4-one IUPAC Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-5,7-dihydroxy-8-(3-hydroxy-1-methylpiperidin-4-yl)chromen-4-one Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]-5,7-dihydroxy-8-(3-hydroxy-1-methyl-4-piperidyl)chromone Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4CCN(CC4O)C)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4CCN(CC4O)C)C

InChI

InChI=1S/C21H23N3O5S/c1-10-6-11(2)23-21(22-10)30-17-8-15(27)19-14(26)7-13(25)18(20(19)29-17)12-4-5-24(3)9-16(12)28/h6-8,12,16,25-26,28H,4-5,9H2,1-3H3