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

Systemtic Name: 6-methyl-2-(phenylmethyl)-5-[2-(phenylmethylsulfanyl)ethyl]-1H-pyrimidin-4-one Openeye Name: 2-benzyl-5-(2-benzylsulfanylethyl)-6-methyl-1H-pyrimidin-4-one CAS Name: 6-methyl-2-(phenylmethyl)-5-[2-(phenylmethylthio)ethyl]-1H-pyrimidin-4-one IUPAC Name: 2-benzyl-5-(2-benzylsulfanylethyl)-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-benzyl-5-[2-(benzylthio)ethyl]-6-methyl-1H-pyrimidin-4-one Formula: C21H22N2OS MolecularWeight: 350.47718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2OS/c1-16-19(12-13-25-15-18-10-6-3-7-11-18)21(24)23-20(22-16)14-17-8-4-2-5-9-17/h2-11H,12-15H2,1H3,(H,22,23,24)