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

Systemtic Name: 5-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-6-methyl-2-(phenylmethyl)-1H-pyrimidin-4-one Openeye Name: 2-benzyl-5-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 5-[2-[(4-chlorophenyl)methylthio]ethyl]-6-methyl-2-(phenylmethyl)-1H-pyrimidin-4-one IUPAC Name: 2-benzyl-5-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-benzyl-5-[2-[(4-chlorobenzyl)thio]ethyl]-6-methyl-1H-pyrimidin-4-one Formula: C21H21ClN2OS MolecularWeight: 384.92224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)CC2=CC=CC=C2)CCSCC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C(C(=O)N=C(N1)CC2=CC=CC=C2)CCSCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H21ClN2OS/c1-15-19(11-12-26-14-17-7-9-18(22)10-8-17)21(25)24-20(23-15)13-16-5-3-2-4-6-16/h2-10H,11-14H2,1H3,(H,23,24,25)