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

Systemtic Name: 3-butyl-7-(3-methylbutyl)purine-2,6-dione Openeye Name: 3-butyl-7-isopentyl-purine-2,6-dione CAS Name: 3-butyl-7-(3-methylbutyl)purine-2,6-dione IUPAC Name: 3-butyl-7-(3-methylbutyl)purine-2,6-dione Traditional Name: 3-butyl-7-isoamyl-xanthine Formula: C14H22N4O2 MolecularWeight: 278.35008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22N4O2/c1-4-5-7-18-12-11(13(19)16-14(18)20)17(9-15-12)8-6-10(2)3/h9-10H,4-8H2,1-3H3,(H,16,19,20)