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

Systemtic Name: 1-ethyl-3-(2-ethylsulfonylethyl)-8-phenyl-7H-purine-2,6-dione Openeye Name: 1-ethyl-3-(2-ethylsulfonylethyl)-8-phenyl-7H-purine-2,6-dione CAS Name: 1-ethyl-3-(2-ethylsulfonylethyl)-8-phenyl-7H-purine-2,6-dione IUPAC Name: 1-ethyl-3-(2-ethylsulfonylethyl)-8-phenyl-7H-purine-2,6-dione Traditional Name: 3-(2-esylethyl)-1-ethyl-8-phenyl-7H-purine-2,6-quinone Formula: C17H20N4O4S MolecularWeight: 376.4301

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O4S/c1-3-20-16(22)13-15(19-14(18-13)12-8-6-5-7-9-12)21(17(20)23)10-11-26(24,25)4-2/h5-9H,3-4,10-11H2,1-2H3,(H,18,19)