1-(8-sulfanylidene-9H-purin-7-yl)pentyl methanoate

Systemtic Name: 1-(8-sulfanylidene-9H-purin-7-yl)pentyl methanoate Openeye Name: 1-(8-thioxo-9H-purin-7-yl)pentyl formate CAS Name: formic acid 1-(8-sulfanylidene-9H-purin-7-yl)pentyl ester IUPAC Name: 1-(8-sulfanylidene-9H-purin-7-yl)pentyl formate Traditional Name: formic acid 1-(8-thioxo-9H-purin-7-yl)pentyl ester Formula: C11H14N4O2S MolecularWeight: 266.31946

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(N1C2=CN=CN=C2NC1=S)OC=O

Isomeric SMILES

CCCCC(N1C2=CN=CN=C2NC1=S)OC=O

InChI

InChI=1S/C11H14N4O2S/c1-2-3-4-9(17-7-16)15-8-5-12-6-13-10(8)14-11(15)18/h5-7,9H,2-4H2,1H3,(H,12,13,14,18)