5-[2-[(2-chlorophenyl)methylsulfinyl]ethyl]-6-methyl-2-(phenylmethyl)-1H-pyrimidin-4-one

Systemtic Name: 5-[2-[(2-chlorophenyl)methylsulfinyl]ethyl]-6-methyl-2-(phenylmethyl)-1H-pyrimidin-4-one Openeye Name: 2-benzyl-5-[2-[(2-chlorophenyl)methylsulfinyl]ethyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 5-[2-[(2-chlorophenyl)methylsulfinyl]ethyl]-6-methyl-2-(phenylmethyl)-1H-pyrimidin-4-one IUPAC Name: 2-benzyl-5-[2-[(2-chlorophenyl)methylsulfinyl]ethyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-benzyl-5-[2-(2-chlorobenzyl)sulfinylethyl]-6-methyl-1H-pyrimidin-4-one Formula: C21H21ClN2O2S MolecularWeight: 400.92164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)CC2=CC=CC=C2)CCS(=O)CC3=CC=CC=C3Cl

Isomeric SMILES

CC1=C(C(=O)N=C(N1)CC2=CC=CC=C2)CCS(=O)CC3=CC=CC=C3Cl

InChI

InChI=1S/C21H21ClN2O2S/c1-15-18(11-12-27(26)14-17-9-5-6-10-19(17)22)21(25)24-20(23-15)13-16-7-3-2-4-8-16/h2-10H,11-14H2,1H3,(H,23,24,25)