8-(butylamino)-3-methyl-7-(3-methylbutyl)purine-2,6-dione

Systemtic Name: 8-(butylamino)-3-methyl-7-(3-methylbutyl)purine-2,6-dione Openeye Name: 8-(butylamino)-7-isopentyl-3-methyl-purine-2,6-dione CAS Name: 8-(butylamino)-3-methyl-7-(3-methylbutyl)purine-2,6-dione IUPAC Name: 8-(butylamino)-3-methyl-7-(3-methylbutyl)purine-2,6-dione Traditional Name: 8-(butylamino)-7-isoamyl-3-methyl-xanthine Formula: C15H25N5O2 MolecularWeight: 307.3913

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC2=C(N1CCC(C)C)C(=O)NC(=O)N2C

Isomeric SMILES

CCCCNC1=NC2=C(N1CCC(C)C)C(=O)NC(=O)N2C

InChI

InChI=1S/C15H25N5O2/c1-5-6-8-16-14-17-12-11(20(14)9-7-10(2)3)13(21)18-15(22)19(12)4/h10H,5-9H2,1-4H3,(H,16,17)(H,18,21,22)