2-[2-(4-chloranylphenoxy)ethylsulfanyl]-5-(2-methylpropyl)-4-oxidanyl-1H-pyrimidin-6-one

Systemtic Name: 2-[2-(4-chloranylphenoxy)ethylsulfanyl]-5-(2-methylpropyl)-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 2-[2-(4-chlorophenoxy)ethylsulfanyl]-4-hydroxy-5-isobutyl-1H-pyrimidin-6-one CAS Name: 2-[2-(4-chlorophenoxy)ethylthio]-4-hydroxy-5-(2-methylpropyl)-1H-pyrimidin-6-one IUPAC Name: 2-[2-(4-chlorophenoxy)ethylsulfanyl]-4-hydroxy-5-(2-methylpropyl)-1H-pyrimidin-6-one Traditional Name: 2-[2-(4-chlorophenoxy)ethylthio]-4-hydroxy-5-isobutyl-1H-pyrimidin-6-one Formula: C16H19ClN2O3S MolecularWeight: 354.85166

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(N=C(NC1=O)SCCOC2=CC=C(C=C2)Cl)O

Isomeric SMILES

CC(C)CC1=C(N=C(NC1=O)SCCOC2=CC=C(C=C2)Cl)O

InChI

InChI=1S/C16H19ClN2O3S/c1-10(2)9-13-14(20)18-16(19-15(13)21)23-8-7-22-12-5-3-11(17)4-6-12/h3-6,10H,7-9H2,1-2H3,(H2,18,19,20,21)