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

Systemtic Name: 2-[(3-bromanyl-4-methoxy-phenyl)methylsulfanyl]-6-phenyl-5-prop-2-enyl-1H-pyrimidin-4-one Openeye Name: 5-allyl-2-[(3-bromo-4-methoxy-phenyl)methylsulfanyl]-6-phenyl-1H-pyrimidin-4-one CAS Name: 2-[(3-bromo-4-methoxyphenyl)methylthio]-6-phenyl-5-prop-2-enyl-1H-pyrimidin-4-one IUPAC Name: 2-[(3-bromo-4-methoxyphenyl)methylsulfanyl]-6-phenyl-5-prop-2-enyl-1H-pyrimidin-4-one Traditional Name: 5-allyl-2-[(3-bromo-4-methoxy-benzyl)thio]-6-phenyl-1H-pyrimidin-4-one Formula: C21H19BrN2O2S MolecularWeight: 443.35676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19BrN2O2S/c1-3-7-16-19(15-8-5-4-6-9-15)23-21(24-20(16)25)27-13-14-10-11-18(26-2)17(22)12-14/h3-6,8-12H,1,7,13H2,2H3,(H,23,24,25)