heptyl 7H-purin-6-ylsulfanylmethanoate

Systemtic Name: heptyl 7H-purin-6-ylsulfanylmethanoate Openeye Name: heptyl 7H-purin-6-ylsulfanylformate CAS Name: (7H-purin-6-ylthio)formic acid heptyl ester IUPAC Name: heptyl 7H-purin-6-ylsulfanylformate Traditional Name: (7H-purin-6-ylthio)formic acid heptyl ester Formula: C13H18N4O2S MolecularWeight: 294.37262

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)SC1=NC=NC2=C1NC=N2

Isomeric SMILES

CCCCCCCOC(=O)SC1=NC=NC2=C1NC=N2

InChI

InChI=1S/C13H18N4O2S/c1-2-3-4-5-6-7-19-13(18)20-12-10-11(15-8-14-10)16-9-17-12/h8-9H,2-7H2,1H3,(H,14,15,16,17)