1-(2-ethylsulfanylethyl)-8-(furan-2-yl)-3-(3-methoxypropyl)-7H-purine-2,6-dione

Systemtic Name: 1-(2-ethylsulfanylethyl)-8-(furan-2-yl)-3-(3-methoxypropyl)-7H-purine-2,6-dione Openeye Name: 1-(2-ethylsulfanylethyl)-8-(2-furyl)-3-(3-methoxypropyl)-7H-purine-2,6-dione CAS Name: 1-[2-(ethylthio)ethyl]-8-(2-furanyl)-3-(3-methoxypropyl)-7H-purine-2,6-dione IUPAC Name: 1-(2-ethylsulfanylethyl)-8-(furan-2-yl)-3-(3-methoxypropyl)-7H-purine-2,6-dione Traditional Name: 1-[2-(ethylthio)ethyl]-8-(2-furyl)-3-(3-methoxypropyl)-7H-purine-2,6-quinone Formula: C17H22N4O4S MolecularWeight: 378.44598

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCN1C(=O)C2=C(N=C(N2)C3=CC=CO3)N(C1=O)CCCOC

Isomeric SMILES

CCSCCN1C(=O)C2=C(N=C(N2)C3=CC=CO3)N(C1=O)CCCOC

InChI

InChI=1S/C17H22N4O4S/c1-3-26-11-8-21-16(22)13-15(20(17(21)23)7-5-9-24-2)19-14(18-13)12-6-4-10-25-12/h4,6,10H,3,5,7-9,11H2,1-2H3,(H,18,19)