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

Systemtic Name: 2-[2-(2-azanylpyrimidin-5-yl)ethyl]-5-[2-tert-butyl-4-(hydroxymethyl)-5-methyl-phenyl]sulfanyl-6-oxidanyl-2-propan-2-yl-3H-pyran-4-one Openeye Name: 2-[2-(2-aminopyrimidin-5-yl)ethyl]-5-[2-tert-butyl-4-(hydroxymethyl)-5-methyl-phenyl]sulfanyl-6-hydroxy-2-isopropyl-3H-pyran-4-one CAS Name: 2-[2-(2-amino-5-pyrimidinyl)ethyl]-5-[[2-tert-butyl-4-(hydroxymethyl)-5-methylphenyl]thio]-6-hydroxy-2-propan-2-yl-3H-pyran-4-one IUPAC Name: 2-[2-(2-aminopyrimidin-5-yl)ethyl]-5-[2-tert-butyl-4-(hydroxymethyl)-5-methylphenyl]sulfanyl-6-hydroxy-2-propan-2-yl-3H-pyran-4-one Traditional Name: 2-[2-(2-aminopyrimidin-5-yl)ethyl]-5-[(2-tert-butyl-5-methyl-4-methylol-phenyl)thio]-6-hydroxy-2-isopropyl-3H-pyran-4-one Formula: C26H35N3O4S MolecularWeight: 485.6388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H35N3O4S/c1-15(2)26(8-7-17-12-28-24(27)29-13-17)11-20(31)22(23(32)33-26)34-21-9-16(3)18(14-30)10-19(21)25(4,5)6/h9-10,12-13,15,30,32H,7-8,11,14H2,1-6H3,(H2,27,28,29)