1-ethyl-3-(2-ethylsulfonylethyl)-8-(phenylmethyl)-7H-purine-2,6-dione

Systemtic Name: 1-ethyl-3-(2-ethylsulfonylethyl)-8-(phenylmethyl)-7H-purine-2,6-dione Openeye Name: 8-benzyl-1-ethyl-3-(2-ethylsulfonylethyl)-7H-purine-2,6-dione CAS Name: 1-ethyl-3-(2-ethylsulfonylethyl)-8-(phenylmethyl)-7H-purine-2,6-dione IUPAC Name: 8-benzyl-1-ethyl-3-(2-ethylsulfonylethyl)-7H-purine-2,6-dione Traditional Name: 8-benzyl-3-(2-esylethyl)-1-ethyl-7H-purine-2,6-quinone Formula: C18H22N4O4S MolecularWeight: 390.45668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O4S/c1-3-21-17(23)15-16(22(18(21)24)10-11-27(25,26)4-2)20-14(19-15)12-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3,(H,19,20)