8-chloranyl-1,3-dimethyl-7-[2-oxidanylidene-2-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]ethyl]purine-2,6-dione

Systemtic Name: 8-chloranyl-1,3-dimethyl-7-[2-oxidanylidene-2-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]ethyl]purine-2,6-dione Openeye Name: 8-chloro-1,3-dimethyl-7-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]purine-2,6-dione CAS Name: 8-chloro-1,3-dimethyl-7-[2-oxo-2-[4-(2-oxo-1-pyrrolidinyl)phenyl]ethyl]purine-2,6-dione IUPAC Name: 8-chloro-1,3-dimethyl-7-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]purine-2,6-dione Traditional Name: 8-chloro-7-[2-keto-2-[4-(2-ketopyrrolidino)phenyl]ethyl]-1,3-dimethyl-xanthine Formula: C19H18ClN5O4 MolecularWeight: 415.83032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClN5O4/c1-22-16-15(17(28)23(2)19(22)29)25(18(20)21-16)10-13(26)11-5-7-12(8-6-11)24-9-3-4-14(24)27/h5-8H,3-4,9-10H2,1-2H3