5-(2-sulfanylidene-1,7-dihydropurin-6-yl)pentanoic acid

Systemtic Name: 5-(2-sulfanylidene-1,7-dihydropurin-6-yl)pentanoic acid Openeye Name: 5-(2-thioxo-1,7-dihydropurin-6-yl)pentanoic acid CAS Name: 5-(2-sulfanylidene-1,7-dihydropurin-6-yl)pentanoic acid IUPAC Name: 5-(2-sulfanylidene-1,7-dihydropurin-6-yl)pentanoic acid Traditional Name: 5-(2-thioxo-1,7-dihydropurin-6-yl)valeric acid Formula: C10H12N4O2S MolecularWeight: 252.29288

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=NC(=S)NC(=C2N1)CCCCC(=O)O

Isomeric SMILES

C1=NC2=NC(=S)NC(=C2N1)CCCCC(=O)O

InChI

InChI=1S/C10H12N4O2S/c15-7(16)4-2-1-3-6-8-9(12-5-11-8)14-10(17)13-6/h5H,1-4H2,(H,15,16)(H2,11,12,13,14,17)