methyl N-[[5-bromanyl-2-[(4-fluorophenyl)methylsulfanyl]pyrimidin-4-yl]carbonylamino]carbamate

Systemtic Name: methyl N-[[5-bromanyl-2-[(4-fluorophenyl)methylsulfanyl]pyrimidin-4-yl]carbonylamino]carbamate Openeye Name: methyl N-[[5-bromo-2-[(4-fluorophenyl)methylsulfanyl]pyrimidine-4-carbonyl]amino]carbamate CAS Name: N-[[[5-bromo-2-[(4-fluorophenyl)methylthio]-4-pyrimidinyl]-oxomethyl]amino]carbamic acid methyl ester IUPAC Name: methyl N-[[5-bromo-2-[(4-fluorophenyl)methylsulfanyl]pyrimidine-4-carbonyl]amino]carbamate Traditional Name: N-[[5-bromo-2-[(4-fluorobenzyl)thio]pyrimidine-4-carbonyl]amino]carbamic acid methyl ester Formula: C14H12BrFN4O3S MolecularWeight: 415.237483

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NNC(=O)C1=NC(=NC=C1Br)SCC2=CC=C(C=C2)F

Isomeric SMILES

COC(=O)NNC(=O)C1=NC(=NC=C1Br)SCC2=CC=C(C=C2)F

InChI

InChI=1S/C14H12BrFN4O3S/c1-23-14(22)20-19-12(21)11-10(15)6-17-13(18-11)24-7-8-2-4-9(16)5-3-8/h2-6H,7H2,1H3,(H,19,21)(H,20,22)