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

Systemtic Name: 1-(2-ethylsulfanylethyl)-8-(furan-2-ylmethyl)-3-(3-methoxypropyl)-7H-purine-2,6-dione Openeye Name: 1-(2-ethylsulfanylethyl)-8-(2-furylmethyl)-3-(3-methoxypropyl)-7H-purine-2,6-dione CAS Name: 1-[2-(ethylthio)ethyl]-8-(2-furanylmethyl)-3-(3-methoxypropyl)-7H-purine-2,6-dione IUPAC Name: 1-(2-ethylsulfanylethyl)-8-(furan-2-ylmethyl)-3-(3-methoxypropyl)-7H-purine-2,6-dione Traditional Name: 1-[2-(ethylthio)ethyl]-8-(2-furfuryl)-3-(3-methoxypropyl)-7H-purine-2,6-quinone Formula: C18H24N4O4S MolecularWeight: 392.47256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O4S/c1-3-27-11-8-22-17(23)15-16(21(18(22)24)7-5-9-25-2)20-14(19-15)12-13-6-4-10-26-13/h4,6,10H,3,5,7-9,11-12H2,1-2H3,(H,19,20)