2-[(2-chloranyl-5-methoxy-phenyl)methylsulfanyl]-6-methyl-5-(phenylmethyl)-1H-pyrimidin-4-one

Systemtic Name: 2-[(2-chloranyl-5-methoxy-phenyl)methylsulfanyl]-6-methyl-5-(phenylmethyl)-1H-pyrimidin-4-one Openeye Name: 5-benzyl-2-[(2-chloro-5-methoxy-phenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 2-[(2-chloro-5-methoxyphenyl)methylthio]-6-methyl-5-(phenylmethyl)-1H-pyrimidin-4-one IUPAC Name: 5-benzyl-2-[(2-chloro-5-methoxyphenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 5-benzyl-2-[(2-chloro-5-methoxy-benzyl)thio]-6-methyl-1H-pyrimidin-4-one Formula: C20H19ClN2O2S MolecularWeight: 386.89506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC2=C(C=CC(=C2)OC)Cl)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC2=C(C=CC(=C2)OC)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C20H19ClN2O2S/c1-13-17(10-14-6-4-3-5-7-14)19(24)23-20(22-13)26-12-15-11-16(25-2)8-9-18(15)21/h3-9,11H,10,12H2,1-2H3,(H,22,23,24)