ethyl 3-methyl-2-[5-(7H-purin-6-ylsulfanyl)pentanoylamino]butanoate

Systemtic Name: ethyl 3-methyl-2-[5-(7H-purin-6-ylsulfanyl)pentanoylamino]butanoate Openeye Name: ethyl 3-methyl-2-[5-(7H-purin-6-ylsulfanyl)pentanoylamino]butanoate CAS Name: 3-methyl-2-[[1-oxo-5-(7H-purin-6-ylthio)pentyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 3-methyl-2-[5-(7H-purin-6-ylsulfanyl)pentanoylamino]butanoate Traditional Name: 3-methyl-2-[5-(7H-purin-6-ylthio)pentanoylamino]butyric acid ethyl ester Formula: C17H25N5O3S MolecularWeight: 379.4771

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C)C)NC(=O)CCCCSC1=NC=NC2=C1NC=N2

Isomeric SMILES

CCOC(=O)C(C(C)C)NC(=O)CCCCSC1=NC=NC2=C1NC=N2

InChI

InChI=1S/C17H25N5O3S/c1-4-25-17(24)13(11(2)3)22-12(23)7-5-6-8-26-16-14-15(19-9-18-14)20-10-21-16/h9-11,13H,4-8H2,1-3H3,(H,22,23)(H,18,19,20,21)