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

Systemtic Name: 1-(2-ethylsulfonylethyl)-3-(3-methoxypropyl)-8-phenyl-7H-purine-2,6-dione Openeye Name: 1-(2-ethylsulfonylethyl)-3-(3-methoxypropyl)-8-phenyl-7H-purine-2,6-dione CAS Name: 1-(2-ethylsulfonylethyl)-3-(3-methoxypropyl)-8-phenyl-7H-purine-2,6-dione IUPAC Name: 1-(2-ethylsulfonylethyl)-3-(3-methoxypropyl)-8-phenyl-7H-purine-2,6-dione Traditional Name: 1-(2-esylethyl)-3-(3-methoxypropyl)-8-phenyl-7H-purine-2,6-quinone Formula: C19H24N4O5S MolecularWeight: 420.48266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N4O5S/c1-3-29(26,27)13-11-23-18(24)15-17(22(19(23)25)10-7-12-28-2)21-16(20-15)14-8-5-4-6-9-14/h4-6,8-9H,3,7,10-13H2,1-2H3,(H,20,21)