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

Systemtic Name: 1,3-dimethyl-7-[(2-methylphenyl)methyl]-8-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-purine-2,6-dione Openeye Name: 1,3-dimethyl-7-(o-tolylmethyl)-8-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanyl-purine-2,6-dione CAS Name: 1,3-dimethyl-7-[(2-methylphenyl)methyl]-8-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[(2-methylphenyl)methyl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpurine-2,6-dione Traditional Name: 8-[(2-keto-2-pyrrolidino-ethyl)thio]-1,3-dimethyl-7-(2-methylbenzyl)xanthine Formula: C21H25N5O3S MolecularWeight: 427.5199

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C3=C(N=C2SCC(=O)N4CCCC4)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC1=CC=CC=C1CN2C3=C(N=C2SCC(=O)N4CCCC4)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C21H25N5O3S/c1-14-8-4-5-9-15(14)12-26-17-18(23(2)21(29)24(3)19(17)28)22-20(26)30-13-16(27)25-10-6-7-11-25/h4-5,8-9H,6-7,10-13H2,1-3H3