methyl 2-[2-[(3-bromophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate

Systemtic Name: methyl 2-[2-[(3-bromophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate Openeye Name: methyl 2-[2-[(3-bromophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]acetate CAS Name: 2-[2-[(3-bromophenyl)methylthio]-4-oxo-1H-pyrimidin-6-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[(3-bromophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]acetate Traditional Name: 2-[2-[(3-bromobenzyl)thio]-4-keto-1H-pyrimidin-6-yl]acetic acid methyl ester Formula: C14H13BrN2O3S MolecularWeight: 369.23362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13BrN2O3S/c1-20-13(19)7-11-6-12(18)17-14(16-11)21-8-9-3-2-4-10(15)5-9/h2-6H,7-8H2,1H3,(H,16,17,18)