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

Systemtic Name: 2-[(3-bromanyl-4-methoxy-phenyl)methylsulfanyl]-6-methyl-3-prop-2-enyl-pyrimidin-4-one Openeye Name: 3-allyl-2-[(3-bromo-4-methoxy-phenyl)methylsulfanyl]-6-methyl-pyrimidin-4-one CAS Name: 2-[(3-bromo-4-methoxyphenyl)methylthio]-6-methyl-3-prop-2-enyl-4-pyrimidinone IUPAC Name: 2-[(3-bromo-4-methoxyphenyl)methylsulfanyl]-6-methyl-3-prop-2-enylpyrimidin-4-one Traditional Name: 3-allyl-2-[(3-bromo-4-methoxy-benzyl)thio]-6-methyl-pyrimidin-4-one Formula: C16H17BrN2O2S MolecularWeight: 381.28738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C(=N1)SCC2=CC(=C(C=C2)OC)Br)CC=C

Isomeric SMILES

CC1=CC(=O)N(C(=N1)SCC2=CC(=C(C=C2)OC)Br)CC=C

InChI

InChI=1S/C16H17BrN2O2S/c1-4-7-19-15(20)8-11(2)18-16(19)22-10-12-5-6-14(21-3)13(17)9-12/h4-6,8-9H,1,7,10H2,2-3H3