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

Systemtic Name: methyl N-(2-butylsulfanyl-7H-purin-8-yl)carbamate Openeye Name: methyl N-(2-butylsulfanyl-7H-purin-8-yl)carbamate CAS Name: N-[2-(butylthio)-7H-purin-8-yl]carbamic acid methyl ester IUPAC Name: methyl N-(2-butylsulfanyl-7H-purin-8-yl)carbamate Traditional Name: N-[2-(butylthio)-7H-purin-8-yl]carbamic acid methyl ester Formula: C11H15N5O2S MolecularWeight: 281.3341

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC=C2C(=N1)N=C(N2)NC(=O)OC

Isomeric SMILES

CCCCSC1=NC=C2C(=N1)N=C(N2)NC(=O)OC

InChI

InChI=1S/C11H15N5O2S/c1-3-4-5-19-10-12-6-7-8(15-10)14-9(13-7)16-11(17)18-2/h6H,3-5H2,1-2H3,(H2,12,13,14,15,16,17)