3-butyl-7-(2-methylpropyl)purine-2,6-dione

Systemtic Name: 3-butyl-7-(2-methylpropyl)purine-2,6-dione Openeye Name: 3-butyl-7-isobutyl-purine-2,6-dione CAS Name: 3-butyl-7-(2-methylpropyl)purine-2,6-dione IUPAC Name: 3-butyl-7-(2-methylpropyl)purine-2,6-dione Traditional Name: 3-butyl-7-isobutyl-xanthine Formula: C13H20N4O2 MolecularWeight: 264.3235

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C=N2)CC(C)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C=N2)CC(C)C

InChI

InChI=1S/C13H20N4O2/c1-4-5-6-17-11-10(12(18)15-13(17)19)16(8-14-11)7-9(2)3/h8-9H,4-7H2,1-3H3,(H,15,18,19)