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

Systemtic Name: 5-(4-azanyl-2-tert-butyl-5-methyl-phenyl)sulfanyl-6-oxidanyl-2-propan-2-yl-2-(2-pyrimidin-5-ylethyl)-3H-pyran-4-one Openeye Name: 5-(4-amino-2-tert-butyl-5-methyl-phenyl)sulfanyl-6-hydroxy-2-isopropyl-2-(2-pyrimidin-5-ylethyl)-3H-pyran-4-one CAS Name: 5-[(4-amino-2-tert-butyl-5-methylphenyl)thio]-6-hydroxy-2-propan-2-yl-2-[2-(5-pyrimidinyl)ethyl]-3H-pyran-4-one IUPAC Name: 5-(4-amino-2-tert-butyl-5-methylphenyl)sulfanyl-6-hydroxy-2-propan-2-yl-2-(2-pyrimidin-5-ylethyl)-3H-pyran-4-one Traditional Name: 5-[(4-amino-2-tert-butyl-5-methyl-phenyl)thio]-6-hydroxy-2-isopropyl-2-[2-(5-pyrimidyl)ethyl]-3H-pyran-4-one Formula: C25H33N3O3S MolecularWeight: 455.61282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)SC2=C(OC(CC2=O)(CCC3=CN=CN=C3)C(C)C)O)C(C)(C)C)N

Isomeric SMILES

CC1=C(C=C(C(=C1)SC2=C(OC(CC2=O)(CCC3=CN=CN=C3)C(C)C)O)C(C)(C)C)N

InChI

InChI=1S/C25H33N3O3S/c1-15(2)25(8-7-17-12-27-14-28-13-17)11-20(29)22(23(30)31-25)32-21-9-16(3)19(26)10-18(21)24(4,5)6/h9-10,12-15,30H,7-8,11,26H2,1-6H3