7-(2,2-dimethylpropyl)-1-methyl-3-phenyl-purine-2,6-dione

Systemtic Name: 7-(2,2-dimethylpropyl)-1-methyl-3-phenyl-purine-2,6-dione Openeye Name: 7-(2,2-dimethylpropyl)-1-methyl-3-phenyl-purine-2,6-dione CAS Name: 7-(2,2-dimethylpropyl)-1-methyl-3-phenylpurine-2,6-dione IUPAC Name: 7-(2,2-dimethylpropyl)-1-methyl-3-phenylpurine-2,6-dione Traditional Name: 1-methyl-7-neopentyl-3-phenyl-xanthine Formula: C17H20N4O2 MolecularWeight: 312.3663

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CN1C=NC2=C1C(=O)N(C(=O)N2C3=CC=CC=C3)C

Isomeric SMILES

CC(C)(C)CN1C=NC2=C1C(=O)N(C(=O)N2C3=CC=CC=C3)C

InChI

InChI=1S/C17H20N4O2/c1-17(2,3)10-20-11-18-14-13(20)15(22)19(4)16(23)21(14)12-8-6-5-7-9-12/h5-9,11H,10H2,1-4H3