1-(2-ethylsulfinylethyl)-3-(furan-2-ylmethyl)-8-(phenylmethyl)-7H-purine-2,6-dione

Systemtic Name: 1-(2-ethylsulfinylethyl)-3-(furan-2-ylmethyl)-8-(phenylmethyl)-7H-purine-2,6-dione Openeye Name: 8-benzyl-1-(2-ethylsulfinylethyl)-3-(2-furylmethyl)-7H-purine-2,6-dione CAS Name: 1-(2-ethylsulfinylethyl)-3-(2-furanylmethyl)-8-(phenylmethyl)-7H-purine-2,6-dione IUPAC Name: 8-benzyl-1-(2-ethylsulfinylethyl)-3-(furan-2-ylmethyl)-7H-purine-2,6-dione Traditional Name: 8-benzyl-1-(2-ethylsulfinylethyl)-3-(2-furfuryl)-7H-purine-2,6-quinone Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)CCN1C(=O)C2=C(N=C(N2)CC3=CC=CC=C3)N(C1=O)CC4=CC=CO4

Isomeric SMILES

CCS(=O)CCN1C(=O)C2=C(N=C(N2)CC3=CC=CC=C3)N(C1=O)CC4=CC=CO4

InChI

InChI=1S/C21H22N4O4S/c1-2-30(28)12-10-24-20(26)18-19(25(21(24)27)14-16-9-6-11-29-16)23-17(22-18)13-15-7-4-3-5-8-15/h3-9,11H,2,10,12-14H2,1H3,(H,22,23)