1,8-dimethyl-3-(2-methylpropyl)-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 1,8-dimethyl-3-(2-methylpropyl)-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-3-isobutyl-1,8-dimethyl-purine-2,6-dione CAS Name: 1,8-dimethyl-3-(2-methylpropyl)-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-1,8-dimethyl-3-(2-methylpropyl)purine-2,6-dione Traditional Name: 7-benzyl-3-isobutyl-1,8-dimethyl-xanthine Formula: C18H22N4O2 MolecularWeight: 326.39288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=O)N2CC(C)C)C

Isomeric SMILES

CC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=O)N2CC(C)C)C

InChI

InChI=1S/C18H22N4O2/c1-12(2)10-22-16-15(17(23)20(4)18(22)24)21(13(3)19-16)11-14-8-6-5-7-9-14/h5-9,12H,10-11H2,1-4H3