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

Systemtic Name: 3-(4-azanyl-2-tert-butyl-5-methyl-phenyl)sulfanyl-6-propan-2-yl-6-(2-pyrimidin-5-ylethyl)oxan-2-one Openeye Name: 3-(4-amino-2-tert-butyl-5-methyl-phenyl)sulfanyl-6-isopropyl-6-(2-pyrimidin-5-ylethyl)tetrahydropyran-2-one CAS Name: 3-[(4-amino-2-tert-butyl-5-methylphenyl)thio]-6-propan-2-yl-6-[2-(5-pyrimidinyl)ethyl]-2-oxanone IUPAC Name: 3-(4-amino-2-tert-butyl-5-methylphenyl)sulfanyl-6-propan-2-yl-6-(2-pyrimidin-5-ylethyl)oxan-2-one Traditional Name: 3-[(4-amino-2-tert-butyl-5-methyl-phenyl)thio]-6-isopropyl-6-[2-(5-pyrimidyl)ethyl]tetrahydropyran-2-one Formula: C25H35N3O2S MolecularWeight: 441.6293

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)SC2CCC(OC2=O)(CCC3=CN=CN=C3)C(C)C)C(C)(C)C)N

Isomeric SMILES

CC1=C(C=C(C(=C1)SC2CCC(OC2=O)(CCC3=CN=CN=C3)C(C)C)C(C)(C)C)N

InChI

InChI=1S/C25H35N3O2S/c1-16(2)25(9-7-18-13-27-15-28-14-18)10-8-21(23(29)30-25)31-22-11-17(3)20(26)12-19(22)24(4,5)6/h11-16,21H,7-10,26H2,1-6H3