methyl N-[2-[(E)-3-bromanylprop-2-enyl]sulfanyl-7H-purin-8-yl]carbamate

Systemtic Name: methyl N-[2-[(E)-3-bromanylprop-2-enyl]sulfanyl-7H-purin-8-yl]carbamate Openeye Name: methyl N-[2-[(E)-3-bromoallyl]sulfanyl-7H-purin-8-yl]carbamate CAS Name: N-[2-[[(E)-3-bromoprop-2-enyl]thio]-7H-purin-8-yl]carbamic acid methyl ester IUPAC Name: methyl N-[2-[(E)-3-bromoprop-2-enyl]sulfanyl-7H-purin-8-yl]carbamate Traditional Name: N-[2-[[(E)-3-bromoallyl]thio]-7H-purin-8-yl]carbamic acid methyl ester Formula: C10H10BrN5O2S MolecularWeight: 344.1877

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1=NC2=NC(=NC=C2N1)SCC=CBr

Isomeric SMILES

COC(=O)NC1=NC2=NC(=NC=C2N1)SC/C=C/Br

InChI

InChI=1S/C10H10BrN5O2S/c1-18-10(17)16-8-13-6-5-12-9(15-7(6)14-8)19-4-2-3-11/h2-3,5H,4H2,1H3,(H2,12,13,14,15,16,17)/b3-2+