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

Systemtic Name: methyl N-[[5-bromanyl-2-(phenylmethylsulfanyl)pyrimidin-4-yl]carbonylamino]carbamate Openeye Name: methyl N-[(2-benzylsulfanyl-5-bromo-pyrimidine-4-carbonyl)amino]carbamate CAS Name: N-[[[5-bromo-2-(phenylmethylthio)-4-pyrimidinyl]-oxomethyl]amino]carbamic acid methyl ester IUPAC Name: methyl N-[(2-benzylsulfanyl-5-bromopyrimidine-4-carbonyl)amino]carbamate Traditional Name: N-[[2-(benzylthio)-5-bromo-pyrimidine-4-carbonyl]amino]carbamic acid methyl ester Formula: C14H13BrN4O3S MolecularWeight: 397.24702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13BrN4O3S/c1-22-14(21)19-18-12(20)11-10(15)7-16-13(17-11)23-8-9-5-3-2-4-6-9/h2-7H,8H2,1H3,(H,18,20)(H,19,21)