1,3-dimethyl-8-(2-oxidanylidenepyrrolidin-1-yl)-7-phenacyl-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-(2-oxidanylidenepyrrolidin-1-yl)-7-phenacyl-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-(2-oxopyrrolidin-1-yl)-7-phenacyl-purine-2,6-dione CAS Name: 1,3-dimethyl-8-(2-oxo-1-pyrrolidinyl)-7-phenacylpurine-2,6-dione IUPAC Name: 1,3-dimethyl-8-(2-oxopyrrolidin-1-yl)-7-phenacylpurine-2,6-dione Traditional Name: 8-(2-ketopyrrolidino)-1,3-dimethyl-7-phenacyl-xanthine Formula: C19H19N5O4 MolecularWeight: 381.38526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N5O4/c1-21-16-15(17(27)22(2)19(21)28)24(11-13(25)12-7-4-3-5-8-12)18(20-16)23-10-6-9-14(23)26/h3-5,7-8H,6,9-11H2,1-2H3