ethyl 4-methyl-2-[5-(7H-purin-6-ylsulfanyl)pentanoylamino]pentanoate

Systemtic Name: ethyl 4-methyl-2-[5-(7H-purin-6-ylsulfanyl)pentanoylamino]pentanoate Openeye Name: ethyl 4-methyl-2-[5-(7H-purin-6-ylsulfanyl)pentanoylamino]pentanoate CAS Name: 4-methyl-2-[[1-oxo-5-(7H-purin-6-ylthio)pentyl]amino]pentanoic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[5-(7H-purin-6-ylsulfanyl)pentanoylamino]pentanoate Traditional Name: 4-methyl-2-[5-(7H-purin-6-ylthio)pentanoylamino]valeric acid ethyl ester Formula: C18H27N5O3S MolecularWeight: 393.50368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N5O3S/c1-4-26-18(25)13(9-12(2)3)23-14(24)7-5-6-8-27-17-15-16(20-10-19-15)21-11-22-17/h10-13H,4-9H2,1-3H3,(H,23,24)(H,19,20,21,22)