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

Systemtic Name: 1-(2-ethylsulfanylethyl)-3-(furan-2-ylmethyl)-7-methyl-8-(thiophen-2-ylmethyl)purine-2,6-dione Openeye Name: 1-(2-ethylsulfanylethyl)-3-(2-furylmethyl)-7-methyl-8-(2-thienylmethyl)purine-2,6-dione CAS Name: 1-[2-(ethylthio)ethyl]-3-(2-furanylmethyl)-7-methyl-8-(thiophen-2-ylmethyl)purine-2,6-dione IUPAC Name: 1-(2-ethylsulfanylethyl)-3-(furan-2-ylmethyl)-7-methyl-8-(thiophen-2-ylmethyl)purine-2,6-dione Traditional Name: 1-[2-(ethylthio)ethyl]-3-(2-furfuryl)-7-methyl-8-(2-thenyl)xanthine Formula: C20H22N4O3S2 MolecularWeight: 430.54368

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCN1C(=O)C2=C(N=C(N2C)CC3=CC=CS3)N(C1=O)CC4=CC=CO4

Isomeric SMILES

CCSCCN1C(=O)C2=C(N=C(N2C)CC3=CC=CS3)N(C1=O)CC4=CC=CO4

InChI

InChI=1S/C20H22N4O3S2/c1-3-28-11-8-23-19(25)17-18(24(20(23)26)13-14-6-4-9-27-14)21-16(22(17)2)12-15-7-5-10-29-15/h4-7,9-10H,3,8,11-13H2,1-2H3