2-[2-(4-ethylphenoxy)ethylsulfanyl]-6-oxidanyl-1-(phenylmethyl)pyrimidin-4-one

Systemtic Name: 2-[2-(4-ethylphenoxy)ethylsulfanyl]-6-oxidanyl-1-(phenylmethyl)pyrimidin-4-one Openeye Name: 1-benzyl-2-[2-(4-ethylphenoxy)ethylsulfanyl]-6-hydroxy-pyrimidin-4-one CAS Name: 2-[2-(4-ethylphenoxy)ethylthio]-6-hydroxy-1-(phenylmethyl)-4-pyrimidinone IUPAC Name: 1-benzyl-2-[2-(4-ethylphenoxy)ethylsulfanyl]-6-hydroxypyrimidin-4-one Traditional Name: 1-benzyl-2-[2-(4-ethylphenoxy)ethylthio]-6-hydroxy-pyrimidin-4-one Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCCSC2=NC(=O)C=C(N2CC3=CC=CC=C3)O

Isomeric SMILES

CCC1=CC=C(C=C1)OCCSC2=NC(=O)C=C(N2CC3=CC=CC=C3)O

InChI

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