8-[(3R)-1-ethylpiperidin-1-ium-3-yl]sulfanyl-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one

Systemtic Name: 8-[(3R)-1-ethylpiperidin-1-ium-3-yl]sulfanyl-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one Openeye Name: 8-[(3R)-1-ethylpiperidin-1-ium-3-yl]sulfanyl-1,3-dimethyl-6-thioxo-7H-purin-2-one CAS Name: 8-[[(3R)-1-ethyl-3-piperidin-1-iumyl]thio]-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one IUPAC Name: 8-[(3R)-1-ethylpiperidin-1-ium-3-yl]sulfanyl-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one Traditional Name: 8-[[(3R)-1-ethylpiperidin-1-ium-3-yl]thio]-1,3-dimethyl-6-thioxo-7H-purin-2-one Formula: C14H22N5OS2+ MolecularWeight: 340.48738

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC(C1)SC2=NC3=C(N2)C(=S)N(C(=O)N3C)C

Isomeric SMILES

CC[NH+]1CCC[C@H](C1)SC2=NC3=C(N2)C(=S)N(C(=O)N3C)C

InChI

InChI=1S/C14H21N5OS2/c1-4-19-7-5-6-9(8-19)22-13-15-10-11(16-13)17(2)14(20)18(3)12(10)21/h9H,4-8H2,1-3H3,(H,15,16)/p+1/t9-/m1/s1