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

Systemtic Name: 2-[2-(4-methoxyphenoxy)ethylsulfanyl]-6-methyl-5-(phenylmethyl)-1H-pyrimidin-4-one Openeye Name: 5-benzyl-2-[2-(4-methoxyphenoxy)ethylsulfanyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 2-[2-(4-methoxyphenoxy)ethylthio]-6-methyl-5-(phenylmethyl)-1H-pyrimidin-4-one IUPAC Name: 5-benzyl-2-[2-(4-methoxyphenoxy)ethylsulfanyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 5-benzyl-2-[2-(4-methoxyphenoxy)ethylthio]-6-methyl-1H-pyrimidin-4-one Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCCOC2=CC=C(C=C2)OC)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCCOC2=CC=C(C=C2)OC)CC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O3S/c1-15-19(14-16-6-4-3-5-7-16)20(24)23-21(22-15)27-13-12-26-18-10-8-17(25-2)9-11-18/h3-11H,12-14H2,1-2H3,(H,22,23,24)