7-(2,2-dimethylpropyl)-1,8-dimethyl-3-(2-methylbutyl)purine-2,6-dione

Systemtic Name: 7-(2,2-dimethylpropyl)-1,8-dimethyl-3-(2-methylbutyl)purine-2,6-dione Openeye Name: 7-(2,2-dimethylpropyl)-1,8-dimethyl-3-(2-methylbutyl)purine-2,6-dione CAS Name: 7-(2,2-dimethylpropyl)-1,8-dimethyl-3-(2-methylbutyl)purine-2,6-dione IUPAC Name: 7-(2,2-dimethylpropyl)-1,8-dimethyl-3-(2-methylbutyl)purine-2,6-dione Traditional Name: 1,8-dimethyl-3-(2-methylbutyl)-7-neopentyl-xanthine Formula: C17H28N4O2 MolecularWeight: 320.42982

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)C)CC(C)(C)C

Isomeric SMILES

CCC(C)CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)C)CC(C)(C)C

InChI

InChI=1S/C17H28N4O2/c1-8-11(2)9-20-14-13(15(22)19(7)16(20)23)21(12(3)18-14)10-17(4,5)6/h11H,8-10H2,1-7H3