2-[(3-chlorophenyl)methylsulfanyl]-5-(2-hydroxyethyl)-6-methyl-1H-pyrimidin-4-one

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanyl]-5-(2-hydroxyethyl)-6-methyl-1H-pyrimidin-4-one Openeye Name: 2-[(3-chlorophenyl)methylsulfanyl]-5-(2-hydroxyethyl)-6-methyl-1H-pyrimidin-4-one CAS Name: 2-[(3-chlorophenyl)methylthio]-5-(2-hydroxyethyl)-6-methyl-1H-pyrimidin-4-one IUPAC Name: 2-[(3-chlorophenyl)methylsulfanyl]-5-(2-hydroxyethyl)-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-[(3-chlorobenzyl)thio]-5-(2-hydroxyethyl)-6-methyl-1H-pyrimidin-4-one Formula: C14H15ClN2O2S MolecularWeight: 310.7991

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC2=CC(=CC=C2)Cl)CCO

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC2=CC(=CC=C2)Cl)CCO

InChI

InChI=1S/C14H15ClN2O2S/c1-9-12(5-6-18)13(19)17-14(16-9)20-8-10-3-2-4-11(15)7-10/h2-4,7,18H,5-6,8H2,1H3,(H,16,17,19)