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

Systemtic Name: methyl N-(2-phenacylsulfanyl-7H-purin-8-yl)carbamate Openeye Name: methyl N-(2-phenacylsulfanyl-7H-purin-8-yl)carbamate CAS Name: N-[2-(phenacylthio)-7H-purin-8-yl]carbamic acid methyl ester IUPAC Name: methyl N-(2-phenacylsulfanyl-7H-purin-8-yl)carbamate Traditional Name: N-[2-(phenacylthio)-7H-purin-8-yl]carbamic acid methyl ester Formula: C15H13N5O3S MolecularWeight: 343.36042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13N5O3S/c1-23-15(22)20-13-17-10-7-16-14(19-12(10)18-13)24-8-11(21)9-5-3-2-4-6-9/h2-7H,8H2,1H3,(H2,16,17,18,19,20,22)