methyl N-[2-(phenylmethylsulfanyl)-7H-purin-8-yl]carbamate

Systemtic Name: methyl N-[2-(phenylmethylsulfanyl)-7H-purin-8-yl]carbamate Openeye Name: methyl N-(2-benzylsulfanyl-7H-purin-8-yl)carbamate CAS Name: N-[2-(phenylmethylthio)-7H-purin-8-yl]carbamic acid methyl ester IUPAC Name: methyl N-(2-benzylsulfanyl-7H-purin-8-yl)carbamate Traditional Name: N-[2-(benzylthio)-7H-purin-8-yl]carbamic acid methyl ester Formula: C14H13N5O2S MolecularWeight: 315.35032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N5O2S/c1-21-14(20)19-12-16-10-7-15-13(18-11(10)17-12)22-8-9-5-3-2-4-6-9/h2-7H,8H2,1H3,(H2,15,16,17,18,19,20)