3,7-bis(2-methylpropyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]purine-2,6-dione

Systemtic Name: 3,7-bis(2-methylpropyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]purine-2,6-dione Openeye Name: 3,7-diisobutyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]purine-2,6-dione CAS Name: 3,7-bis(2-methylpropyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]purine-2,6-dione IUPAC Name: 3,7-bis(2-methylpropyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]purine-2,6-dione Traditional Name: 3,7-diisobutyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]xanthine Formula: C22H26N6O3 MolecularWeight: 422.48024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=NC2=C1C(=O)N(C(=O)N2CC(C)C)CC3=NC(=NO3)C4=CC=CC=C4

Isomeric SMILES

CC(C)CN1C=NC2=C1C(=O)N(C(=O)N2CC(C)C)CC3=NC(=NO3)C4=CC=CC=C4

InChI

InChI=1S/C22H26N6O3/c1-14(2)10-26-13-23-20-18(26)21(29)28(22(30)27(20)11-15(3)4)12-17-24-19(25-31-17)16-8-6-5-7-9-16/h5-9,13-15H,10-12H2,1-4H3