(6-propylsulfanylpurin-9-yl)methyl N-butylcarbamate

Systemtic Name: (6-propylsulfanylpurin-9-yl)methyl N-butylcarbamate Openeye Name: (6-propylsulfanylpurin-9-yl)methyl N-butylcarbamate CAS Name: N-butylcarbamic acid [6-(propylthio)-9-purinyl]methyl ester IUPAC Name: (6-propylsulfanylpurin-9-yl)methyl N-butylcarbamate Traditional Name: N-butylcarbamic acid [6-(propylthio)purin-9-yl]methyl ester Formula: C14H21N5O2S MolecularWeight: 323.41384

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)OCN1C=NC2=C1N=CN=C2SCCC

Isomeric SMILES

CCCCNC(=O)OCN1C=NC2=C1N=CN=C2SCCC

InChI

InChI=1S/C14H21N5O2S/c1-3-5-6-15-14(20)21-10-19-9-18-11-12(19)16-8-17-13(11)22-7-4-2/h8-9H,3-7,10H2,1-2H3,(H,15,20)