1,3-dimethyl-7-[2-oxidanylidene-2-[3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]ethyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[2-oxidanylidene-2-[3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]ethyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[2-oxo-2-[3-(2-oxo-1-pyrrolidinyl)phenyl]ethyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]purine-2,6-dione Traditional Name: 7-[2-keto-2-[3-(2-ketopyrrolidino)phenyl]ethyl]-1,3-dimethyl-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)CC(=O)C3=CC(=CC=C3)N4CCCC4=O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)C3=CC(=CC=C3)N4CCCC4=O

InChI

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