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

Systemtic Name: 1,8-dimethyl-3-(2-methylbutyl)-7-(2-methylpropyl)purine-2,6-dione Openeye Name: 7-isobutyl-1,8-dimethyl-3-(2-methylbutyl)purine-2,6-dione CAS Name: 1,8-dimethyl-3-(2-methylbutyl)-7-(2-methylpropyl)purine-2,6-dione IUPAC Name: 1,8-dimethyl-3-(2-methylbutyl)-7-(2-methylpropyl)purine-2,6-dione Traditional Name: 7-isobutyl-1,8-dimethyl-3-(2-methylbutyl)xanthine Formula: C16H26N4O2 MolecularWeight: 306.40324

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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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N4O2/c1-7-11(4)9-20-14-13(15(21)18(6)16(20)22)19(8-10(2)3)12(5)17-14/h10-11H,7-9H2,1-6H3