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

Systemtic Name: methyl N-[2-(2-phenoxyethylsulfanyl)-7H-purin-8-yl]carbamate Openeye Name: methyl N-[2-(2-phenoxyethylsulfanyl)-7H-purin-8-yl]carbamate CAS Name: N-[2-(2-phenoxyethylthio)-7H-purin-8-yl]carbamic acid methyl ester IUPAC Name: methyl N-[2-(2-phenoxyethylsulfanyl)-7H-purin-8-yl]carbamate Traditional Name: N-[2-(2-phenoxyethylthio)-7H-purin-8-yl]carbamic acid methyl ester Formula: C15H15N5O3S MolecularWeight: 345.3763

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1=NC2=NC(=NC=C2N1)SCCOC3=CC=CC=C3

Isomeric SMILES

COC(=O)NC1=NC2=NC(=NC=C2N1)SCCOC3=CC=CC=C3

InChI

InChI=1S/C15H15N5O3S/c1-22-15(21)20-13-17-11-9-16-14(19-12(11)18-13)24-8-7-23-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H2,16,17,18,19,20,21)