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

Systemtic Name: 5-(4-azanyl-2-tert-butyl-5-methyl-phenyl)sulfanyl-2-[2-(2-azanylpyrimidin-5-yl)ethyl]-6-oxidanyl-2-propan-2-yl-3H-pyran-4-one Openeye Name: 5-(4-amino-2-tert-butyl-5-methyl-phenyl)sulfanyl-2-[2-(2-aminopyrimidin-5-yl)ethyl]-6-hydroxy-2-isopropyl-3H-pyran-4-one CAS Name: 5-[(4-amino-2-tert-butyl-5-methylphenyl)thio]-2-[2-(2-amino-5-pyrimidinyl)ethyl]-6-hydroxy-2-propan-2-yl-3H-pyran-4-one IUPAC Name: 5-(4-amino-2-tert-butyl-5-methylphenyl)sulfanyl-2-[2-(2-aminopyrimidin-5-yl)ethyl]-6-hydroxy-2-propan-2-yl-3H-pyran-4-one Traditional Name: 5-[(4-amino-2-tert-butyl-5-methyl-phenyl)thio]-2-[2-(2-aminopyrimidin-5-yl)ethyl]-6-hydroxy-2-isopropyl-3H-pyran-4-one Formula: C25H34N4O3S MolecularWeight: 470.62746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H34N4O3S/c1-14(2)25(8-7-16-12-28-23(27)29-13-16)11-19(30)21(22(31)32-25)33-20-9-15(3)18(26)10-17(20)24(4,5)6/h9-10,12-14,31H,7-8,11,26H2,1-6H3,(H2,27,28,29)