5-[2-tert-butyl-4-(hydroxymethyl)-5-methyl-phenyl]sulfanyl-6-oxidanyl-2-propan-2-yl-2-(2-pyrimidin-5-ylethyl)-3H-pyran-4-one

Systemtic Name: 5-[2-tert-butyl-4-(hydroxymethyl)-5-methyl-phenyl]sulfanyl-6-oxidanyl-2-propan-2-yl-2-(2-pyrimidin-5-ylethyl)-3H-pyran-4-one Openeye Name: 5-[2-tert-butyl-4-(hydroxymethyl)-5-methyl-phenyl]sulfanyl-6-hydroxy-2-isopropyl-2-(2-pyrimidin-5-ylethyl)-3H-pyran-4-one CAS Name: 5-[[2-tert-butyl-4-(hydroxymethyl)-5-methylphenyl]thio]-6-hydroxy-2-propan-2-yl-2-[2-(5-pyrimidinyl)ethyl]-3H-pyran-4-one IUPAC Name: 5-[2-tert-butyl-4-(hydroxymethyl)-5-methylphenyl]sulfanyl-6-hydroxy-2-propan-2-yl-2-(2-pyrimidin-5-ylethyl)-3H-pyran-4-one Traditional Name: 5-[(2-tert-butyl-5-methyl-4-methylol-phenyl)thio]-6-hydroxy-2-isopropyl-2-[2-(5-pyrimidyl)ethyl]-3H-pyran-4-one Formula: C26H34N2O4S MolecularWeight: 470.62416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CO)C(C)(C)C)SC2=C(OC(CC2=O)(CCC3=CN=CN=C3)C(C)C)O

Isomeric SMILES

CC1=CC(=C(C=C1CO)C(C)(C)C)SC2=C(OC(CC2=O)(CCC3=CN=CN=C3)C(C)C)O

InChI

InChI=1S/C26H34N2O4S/c1-16(2)26(8-7-18-12-27-15-28-13-18)11-21(30)23(24(31)32-26)33-22-9-17(3)19(14-29)10-20(22)25(4,5)6/h9-10,12-13,15-16,29,31H,7-8,11,14H2,1-6H3