methyl N-[2-[(4-bromophenyl)methylsulfanyl]-7H-purin-8-yl]carbamate

Systemtic Name: methyl N-[2-[(4-bromophenyl)methylsulfanyl]-7H-purin-8-yl]carbamate Openeye Name: methyl N-[2-[(4-bromophenyl)methylsulfanyl]-7H-purin-8-yl]carbamate CAS Name: N-[2-[(4-bromophenyl)methylthio]-7H-purin-8-yl]carbamic acid methyl ester IUPAC Name: methyl N-[2-[(4-bromophenyl)methylsulfanyl]-7H-purin-8-yl]carbamate Traditional Name: N-[2-[(4-bromobenzyl)thio]-7H-purin-8-yl]carbamic acid methyl ester Formula: C14H12BrN5O2S MolecularWeight: 394.24638

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1=NC2=NC(=NC=C2N1)SCC3=CC=C(C=C3)Br

Isomeric SMILES

COC(=O)NC1=NC2=NC(=NC=C2N1)SCC3=CC=C(C=C3)Br

InChI

InChI=1S/C14H12BrN5O2S/c1-22-14(21)20-12-17-10-6-16-13(19-11(10)18-12)23-7-8-2-4-9(15)5-3-8/h2-6H,7H2,1H3,(H2,16,17,18,19,20,21)