7-(2,2-dimethylpropyl)-3-propyl-purine-2,6-dione

Systemtic Name: 7-(2,2-dimethylpropyl)-3-propyl-purine-2,6-dione Openeye Name: 7-(2,2-dimethylpropyl)-3-propyl-purine-2,6-dione CAS Name: 7-(2,2-dimethylpropyl)-3-propylpurine-2,6-dione IUPAC Name: 7-(2,2-dimethylpropyl)-3-propylpurine-2,6-dione Traditional Name: 7-neopentyl-3-propyl-xanthine Formula: C13H20N4O2 MolecularWeight: 264.3235

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)NC1=O)N(C=N2)CC(C)(C)C

Isomeric SMILES

CCCN1C2=C(C(=O)NC1=O)N(C=N2)CC(C)(C)C

InChI

InChI=1S/C13H20N4O2/c1-5-6-17-10-9(11(18)15-12(17)19)16(8-14-10)7-13(2,3)4/h8H,5-7H2,1-4H3,(H,15,18,19)