2-[(3-bromanyl-4-methoxy-phenyl)methylsulfanyl]-4-oxidanyl-5-(phenylmethyl)-1H-pyrimidin-6-one

Systemtic Name: 2-[(3-bromanyl-4-methoxy-phenyl)methylsulfanyl]-4-oxidanyl-5-(phenylmethyl)-1H-pyrimidin-6-one Openeye Name: 5-benzyl-2-[(3-bromo-4-methoxy-phenyl)methylsulfanyl]-4-hydroxy-1H-pyrimidin-6-one CAS Name: 2-[(3-bromo-4-methoxyphenyl)methylthio]-4-hydroxy-5-(phenylmethyl)-1H-pyrimidin-6-one IUPAC Name: 5-benzyl-2-[(3-bromo-4-methoxyphenyl)methylsulfanyl]-4-hydroxy-1H-pyrimidin-6-one Traditional Name: 5-benzyl-2-[(3-bromo-4-methoxy-benzyl)thio]-4-hydroxy-1H-pyrimidin-6-one Formula: C19H17BrN2O3S MolecularWeight: 433.31888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17BrN2O3S/c1-25-16-8-7-13(10-15(16)20)11-26-19-21-17(23)14(18(24)22-19)9-12-5-3-2-4-6-12/h2-8,10H,9,11H2,1H3,(H2,21,22,23,24)