methyl N-(2-phenylsulfanyl-7H-purin-8-yl)carbamate

Systemtic Name: methyl N-(2-phenylsulfanyl-7H-purin-8-yl)carbamate Openeye Name: methyl N-(2-phenylsulfanyl-7H-purin-8-yl)carbamate CAS Name: N-[2-(phenylthio)-7H-purin-8-yl]carbamic acid methyl ester IUPAC Name: methyl N-(2-phenylsulfanyl-7H-purin-8-yl)carbamate Traditional Name: N-[2-(phenylthio)-7H-purin-8-yl]carbamic acid methyl ester Formula: C13H11N5O2S MolecularWeight: 301.32374

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1=NC2=NC(=NC=C2N1)SC3=CC=CC=C3

Isomeric SMILES

COC(=O)NC1=NC2=NC(=NC=C2N1)SC3=CC=CC=C3

InChI

InChI=1S/C13H11N5O2S/c1-20-13(19)18-11-15-9-7-14-12(17-10(9)16-11)21-8-5-3-2-4-6-8/h2-7H,1H3,(H2,14,15,16,17,18,19)