2-acetyloxy-5-(7H-purin-6-ylsulfanyl)pentanoic acid

Systemtic Name: 2-acetyloxy-5-(7H-purin-6-ylsulfanyl)pentanoic acid Openeye Name: 2-acetoxy-5-(7H-purin-6-ylsulfanyl)pentanoic acid CAS Name: 2-acetyloxy-5-(7H-purin-6-ylthio)pentanoic acid IUPAC Name: 2-acetyloxy-5-(7H-purin-6-ylsulfanyl)pentanoic acid Traditional Name: 2-acetoxy-5-(7H-purin-6-ylthio)valeric acid Formula: C12H14N4O4S MolecularWeight: 310.32896

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CCCSC1=NC=NC2=C1NC=N2)C(=O)O

Isomeric SMILES

CC(=O)OC(CCCSC1=NC=NC2=C1NC=N2)C(=O)O

InChI

InChI=1S/C12H14N4O4S/c1-7(17)20-8(12(18)19)3-2-4-21-11-9-10(14-5-13-9)15-6-16-11/h5-6,8H,2-4H2,1H3,(H,18,19)(H,13,14,15,16)