1,3-dimethyl-8-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-1,3-dimethyl-8-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanyl-purine-2,6-dione CAS Name: 1,3-dimethyl-8-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-1,3-dimethyl-8-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpurine-2,6-dione Traditional Name: 7-benzyl-8-[(2-keto-2-pyrrolidino-ethyl)thio]-1,3-dimethyl-xanthine Formula: C20H23N5O3S MolecularWeight: 413.49332

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C20H23N5O3S/c1-22-17-16(18(27)23(2)20(22)28)25(12-14-8-4-3-5-9-14)19(21-17)29-13-15(26)24-10-6-7-11-24/h3-5,8-9H,6-7,10-13H2,1-2H3