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

Systemtic Name: 1,3-dimethyl-7-[2-[[2-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]ethyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[2-[2-(2-oxo-1-pyrrolidinyl)anilino]ethyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl]purine-2,6-dione Traditional Name: 7-[2-[2-(2-ketopyrrolidino)anilino]ethyl]-1,3-dimethyl-xanthine Formula: C19H22N6O3 MolecularWeight: 382.41638

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNC3=CC=CC=C3N4CCCC4=O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNC3=CC=CC=C3N4CCCC4=O

InChI

InChI=1S/C19H22N6O3/c1-22-17-16(18(27)23(2)19(22)28)24(12-21-17)11-9-20-13-6-3-4-7-14(13)25-10-5-8-15(25)26/h3-4,6-7,12,20H,5,8-11H2,1-2H3