7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-purine-2,6-dione

Systemtic Name: 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-purine-2,6-dione Openeye Name: 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanyl-purine-2,6-dione CAS Name: 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]purine-2,6-dione IUPAC Name: 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpurine-2,6-dione Traditional Name: 7-(4-chlorobenzyl)-8-[(2-keto-2-pyrrolidino-ethyl)thio]-1,3-dimethyl-xanthine Formula: C20H22ClN5O3S MolecularWeight: 447.93838

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC(=O)N3CCCC3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC(=O)N3CCCC3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H22ClN5O3S/c1-23-17-16(18(28)24(2)20(23)29)26(11-13-5-7-14(21)8-6-13)19(22-17)30-12-15(27)25-9-3-4-10-25/h5-8H,3-4,9-12H2,1-2H3