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

Systemtic Name: 1-(2-ethylsulfanylethyl)-3,8-bis(furan-2-ylmethyl)-7H-purine-2,6-dione Openeye Name: 1-(2-ethylsulfanylethyl)-3,8-bis(2-furylmethyl)-7H-purine-2,6-dione CAS Name: 1-[2-(ethylthio)ethyl]-3,8-bis(2-furanylmethyl)-7H-purine-2,6-dione IUPAC Name: 1-(2-ethylsulfanylethyl)-3,8-bis(furan-2-ylmethyl)-7H-purine-2,6-dione Traditional Name: 1-[2-(ethylthio)ethyl]-3,8-bis(2-furfuryl)-7H-purine-2,6-quinone Formula: C19H20N4O4S MolecularWeight: 400.4515

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCN1C(=O)C2=C(N=C(N2)CC3=CC=CO3)N(C1=O)CC4=CC=CO4

Isomeric SMILES

CCSCCN1C(=O)C2=C(N=C(N2)CC3=CC=CO3)N(C1=O)CC4=CC=CO4

InChI

InChI=1S/C19H20N4O4S/c1-2-28-10-7-22-18(24)16-17(21-15(20-16)11-13-5-3-8-26-13)23(19(22)25)12-14-6-4-9-27-14/h3-6,8-9H,2,7,10-12H2,1H3,(H,20,21)