7-[(2,4-dimethoxyphenyl)methyl]-1-[2-(phenylsulfonyl)ethyl]-3H-purine-2,6-dione

Systemtic Name: 7-[(2,4-dimethoxyphenyl)methyl]-1-[2-(phenylsulfonyl)ethyl]-3H-purine-2,6-dione Openeye Name: 1-[2-(benzenesulfonyl)ethyl]-7-[(2,4-dimethoxyphenyl)methyl]-3H-purine-2,6-dione CAS Name: 1-[2-(benzenesulfonyl)ethyl]-7-[(2,4-dimethoxyphenyl)methyl]-3H-purine-2,6-dione IUPAC Name: 1-[2-(benzenesulfonyl)ethyl]-7-[(2,4-dimethoxyphenyl)methyl]-3H-purine-2,6-dione Traditional Name: 1-(2-besylethyl)-7-(2,4-dimethoxybenzyl)xanthine Formula: C22H22N4O6S MolecularWeight: 470.49828

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CN2C=NC3=C2C(=O)N(C(=O)N3)CCS(=O)(=O)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=CC(=C(C=C1)CN2C=NC3=C2C(=O)N(C(=O)N3)CCS(=O)(=O)C4=CC=CC=C4)OC

InChI

InChI=1S/C22H22N4O6S/c1-31-16-9-8-15(18(12-16)32-2)13-25-14-23-20-19(25)21(27)26(22(28)24-20)10-11-33(29,30)17-6-4-3-5-7-17/h3-9,12,14H,10-11,13H2,1-2H3,(H,24,28)