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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(N=C1NCCCC)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCN1C2=C(N=C1NCCCC)N(C(=O)NC2=O)C

InChI

InChI=1S/C15H25N5O2/c1-4-6-8-10-20-11-12(17-14(20)16-9-7-5-2)19(3)15(22)18-13(11)21/h4-10H2,1-3H3,(H,16,17)(H,18,21,22)