7-(6-sulfanylidene-3H-purin-9-yl)heptanoic acid

Systemtic Name: 7-(6-sulfanylidene-3H-purin-9-yl)heptanoic acid Openeye Name: 7-(6-thioxo-3H-purin-9-yl)heptanoic acid CAS Name: 7-(6-sulfanylidene-3H-purin-9-yl)heptanoic acid IUPAC Name: 7-(6-sulfanylidene-3H-purin-9-yl)heptanoic acid Traditional Name: 7-(6-thioxo-3H-purin-9-yl)enanthic acid Formula: C12H16N4O2S MolecularWeight: 280.34604

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC(=S)C2=C(N1)N(C=N2)CCCCCCC(=O)O

Isomeric SMILES

C1=NC(=S)C2=C(N1)N(C=N2)CCCCCCC(=O)O

InChI

InChI=1S/C12H16N4O2S/c17-9(18)5-3-1-2-4-6-16-8-15-10-11(16)13-7-14-12(10)19/h7-8H,1-6H2,(H,17,18)(H,13,14,19)