2-[2-(4-tert-butylphenoxy)ethylsulfanyl]-6-methyl-5-(phenylmethyl)-1H-pyrimidin-4-one

Systemtic Name: 2-[2-(4-tert-butylphenoxy)ethylsulfanyl]-6-methyl-5-(phenylmethyl)-1H-pyrimidin-4-one Openeye Name: 5-benzyl-2-[2-(4-tert-butylphenoxy)ethylsulfanyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 2-[2-(4-tert-butylphenoxy)ethylthio]-6-methyl-5-(phenylmethyl)-1H-pyrimidin-4-one IUPAC Name: 5-benzyl-2-[2-(4-tert-butylphenoxy)ethylsulfanyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 5-benzyl-2-[2-(4-tert-butylphenoxy)ethylthio]-6-methyl-1H-pyrimidin-4-one Formula: C24H28N2O2S MolecularWeight: 408.55632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCCOC2=CC=C(C=C2)C(C)(C)C)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCCOC2=CC=C(C=C2)C(C)(C)C)CC3=CC=CC=C3

InChI

InChI=1S/C24H28N2O2S/c1-17-21(16-18-8-6-5-7-9-18)22(27)26-23(25-17)29-15-14-28-20-12-10-19(11-13-20)24(2,3)4/h5-13H,14-16H2,1-4H3,(H,25,26,27)