6-methyl-2-[2-(2-methylphenoxy)ethylsulfanyl]-5-(phenylmethyl)-1H-pyrimidin-4-one

Systemtic Name: 6-methyl-2-[2-(2-methylphenoxy)ethylsulfanyl]-5-(phenylmethyl)-1H-pyrimidin-4-one Openeye Name: 5-benzyl-6-methyl-2-[2-(2-methylphenoxy)ethylsulfanyl]-1H-pyrimidin-4-one CAS Name: 6-methyl-2-[2-(2-methylphenoxy)ethylthio]-5-(phenylmethyl)-1H-pyrimidin-4-one IUPAC Name: 5-benzyl-6-methyl-2-[2-(2-methylphenoxy)ethylsulfanyl]-1H-pyrimidin-4-one Traditional Name: 5-benzyl-6-methyl-2-[2-(2-methylphenoxy)ethylthio]-1H-pyrimidin-4-one Formula: C21H22N2O2S MolecularWeight: 366.47658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCCSC2=NC(=O)C(=C(N2)C)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1OCCSC2=NC(=O)C(=C(N2)C)CC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O2S/c1-15-8-6-7-11-19(15)25-12-13-26-21-22-16(2)18(20(24)23-21)14-17-9-4-3-5-10-17/h3-11H,12-14H2,1-2H3,(H,22,23,24)