1-(2-ethylsulfanylethyl)-3-(furan-2-ylmethyl)-8-(thiophen-2-ylmethyl)-7H-purine-2,6-dione

Systemtic Name: 1-(2-ethylsulfanylethyl)-3-(furan-2-ylmethyl)-8-(thiophen-2-ylmethyl)-7H-purine-2,6-dione Openeye Name: 1-(2-ethylsulfanylethyl)-3-(2-furylmethyl)-8-(2-thienylmethyl)-7H-purine-2,6-dione CAS Name: 1-[2-(ethylthio)ethyl]-3-(2-furanylmethyl)-8-(thiophen-2-ylmethyl)-7H-purine-2,6-dione IUPAC Name: 1-(2-ethylsulfanylethyl)-3-(furan-2-ylmethyl)-8-(thiophen-2-ylmethyl)-7H-purine-2,6-dione Traditional Name: 1-[2-(ethylthio)ethyl]-3-(2-furfuryl)-8-(2-thenyl)-7H-purine-2,6-quinone Formula: C19H20N4O3S2 MolecularWeight: 416.5171

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCN1C(=O)C2=C(N=C(N2)CC3=CC=CS3)N(C1=O)CC4=CC=CO4

Isomeric SMILES

CCSCCN1C(=O)C2=C(N=C(N2)CC3=CC=CS3)N(C1=O)CC4=CC=CO4

InChI

InChI=1S/C19H20N4O3S2/c1-2-27-10-7-22-18(24)16-17(21-15(20-16)11-14-6-4-9-28-14)23(19(22)25)12-13-5-3-8-26-13/h3-6,8-9H,2,7,10-12H2,1H3,(H,20,21)