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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=C(N=C(NC1=O)SCCOC2=CC=C(C=C2)Cl)O

Isomeric SMILES

CCC(C)C1=C(N=C(NC1=O)SCCOC2=CC=C(C=C2)Cl)O

InChI

InChI=1S/C16H19ClN2O3S/c1-3-10(2)13-14(20)18-16(19-15(13)21)23-9-8-22-12-6-4-11(17)5-7-12/h4-7,10H,3,8-9H2,1-2H3,(H2,18,19,20,21)