7-(2,2-dimethylpropyl)-1-propyl-3H-purine-2,6-dione

Systemtic Name: 7-(2,2-dimethylpropyl)-1-propyl-3H-purine-2,6-dione Openeye Name: 7-(2,2-dimethylpropyl)-1-propyl-3H-purine-2,6-dione CAS Name: 7-(2,2-dimethylpropyl)-1-propyl-3H-purine-2,6-dione IUPAC Name: 7-(2,2-dimethylpropyl)-1-propyl-3H-purine-2,6-dione Traditional Name: 7-neopentyl-1-propyl-xanthine Formula: C13H20N4O2 MolecularWeight: 264.3235

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(NC1=O)N=CN2CC(C)(C)C

Isomeric SMILES

CCCN1C(=O)C2=C(NC1=O)N=CN2CC(C)(C)C

InChI

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