1-(3,3-dimethyl-2-oxidanylidene-butyl)-7-(furan-2-ylmethyl)-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 1-(3,3-dimethyl-2-oxidanylidene-butyl)-7-(furan-2-ylmethyl)-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-1-(3,3-dimethyl-2-oxo-butyl)-7-(2-furylmethyl)purine-2,6-dione CAS Name: 1-(3,3-dimethyl-2-oxobutyl)-7-(2-furanylmethyl)-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-1-(3,3-dimethyl-2-oxobutyl)-7-(furan-2-ylmethyl)purine-2,6-dione Traditional Name: 3-benzyl-7-(2-furfuryl)-1-(2-keto-3,3-dimethyl-butyl)xanthine Formula: C23H24N4O4 MolecularWeight: 420.46106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CN1C(=O)C2=C(N=CN2CC3=CC=CO3)N(C1=O)CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C(=O)CN1C(=O)C2=C(N=CN2CC3=CC=CO3)N(C1=O)CC4=CC=CC=C4

InChI

InChI=1S/C23H24N4O4/c1-23(2,3)18(28)14-27-21(29)19-20(24-15-25(19)13-17-10-7-11-31-17)26(22(27)30)12-16-8-5-4-6-9-16/h4-11,15H,12-14H2,1-3H3