methyl 3-azanyl-4-(5-bromanylpyrimidin-4-yl)sulfanyl-benzoate

Systemtic Name: methyl 3-azanyl-4-(5-bromanylpyrimidin-4-yl)sulfanyl-benzoate Openeye Name: methyl 3-amino-4-(5-bromopyrimidin-4-yl)sulfanyl-benzoate CAS Name: 3-amino-4-[(5-bromo-4-pyrimidinyl)thio]benzoic acid methyl ester IUPAC Name: methyl 3-amino-4-(5-bromopyrimidin-4-yl)sulfanylbenzoate Traditional Name: 3-amino-4-[(5-bromopyrimidin-4-yl)thio]benzoic acid methyl ester Formula: C12H10BrN3O2S MolecularWeight: 340.1957

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)SC2=NC=NC=C2Br)N

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)SC2=NC=NC=C2Br)N

InChI

InChI=1S/C12H10BrN3O2S/c1-18-12(17)7-2-3-10(9(14)4-7)19-11-8(13)5-15-6-16-11/h2-6H,14H2,1H3