2-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanyl-5-(phenylmethyl)-1H-pyrimidin-6-one

Systemtic Name: 2-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanyl-5-(phenylmethyl)-1H-pyrimidin-6-one Openeye Name: 5-benzyl-4-hydroxy-2-[2-(4-methoxyphenyl)-2-oxo-ethyl]sulfanyl-1H-pyrimidin-6-one CAS Name: 4-hydroxy-2-[[2-(4-methoxyphenyl)-2-oxoethyl]thio]-5-(phenylmethyl)-1H-pyrimidin-6-one IUPAC Name: 5-benzyl-4-hydroxy-2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one Traditional Name: 5-benzyl-4-hydroxy-2-[[2-keto-2-(4-methoxyphenyl)ethyl]thio]-1H-pyrimidin-6-one Formula: C20H18N2O4S MolecularWeight: 382.43292

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)CSC2=NC(=C(C(=O)N2)CC3=CC=CC=C3)O

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)CSC2=NC(=C(C(=O)N2)CC3=CC=CC=C3)O

InChI

InChI=1S/C20H18N2O4S/c1-26-15-9-7-14(8-10-15)17(23)12-27-20-21-18(24)16(19(25)22-20)11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H2,21,22,24,25)