7-(furan-2-ylmethyl)-1-(2-methylsulfanylethyl)-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 7-(furan-2-ylmethyl)-1-(2-methylsulfanylethyl)-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-(2-furylmethyl)-1-(2-methylsulfanylethyl)purine-2,6-dione CAS Name: 7-(2-furanylmethyl)-1-[2-(methylthio)ethyl]-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-(furan-2-ylmethyl)-1-(2-methylsulfanylethyl)purine-2,6-dione Traditional Name: 3-benzyl-7-(2-furfuryl)-1-[2-(methylthio)ethyl]xanthine Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

CSCCN1C(=O)C2=C(N=CN2CC3=CC=CO3)N(C1=O)CC4=CC=CC=C4

Isomeric SMILES

CSCCN1C(=O)C2=C(N=CN2CC3=CC=CO3)N(C1=O)CC4=CC=CC=C4

InChI

InChI=1S/C20H20N4O3S/c1-28-11-9-23-19(25)17-18(21-14-22(17)13-16-8-5-10-27-16)24(20(23)26)12-15-6-3-2-4-7-15/h2-8,10,14H,9,11-13H2,1H3