2-[2-(3,4-dimethylphenoxy)ethylsulfanyl]-6-propan-2-yl-1H-pyrimidin-4-one

Systemtic Name: 2-[2-(3,4-dimethylphenoxy)ethylsulfanyl]-6-propan-2-yl-1H-pyrimidin-4-one Openeye Name: 2-[2-(3,4-dimethylphenoxy)ethylsulfanyl]-6-isopropyl-1H-pyrimidin-4-one CAS Name: 2-[2-(3,4-dimethylphenoxy)ethylthio]-6-propan-2-yl-1H-pyrimidin-4-one IUPAC Name: 2-[2-(3,4-dimethylphenoxy)ethylsulfanyl]-6-propan-2-yl-1H-pyrimidin-4-one Traditional Name: 2-[2-(3,4-dimethylphenoxy)ethylthio]-6-isopropyl-1H-pyrimidin-4-one Formula: C17H22N2O2S MolecularWeight: 318.43378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCCSC2=NC(=O)C=C(N2)C(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)OCCSC2=NC(=O)C=C(N2)C(C)C)C

InChI

InChI=1S/C17H22N2O2S/c1-11(2)15-10-16(20)19-17(18-15)22-8-7-21-14-6-5-12(3)13(4)9-14/h5-6,9-11H,7-8H2,1-4H3,(H,18,19,20)