3,7-dimethyl-1-(4-methyl-5-oxidanyl-pentyl)purine-2,6-dione

Systemtic Name: 3,7-dimethyl-1-(4-methyl-5-oxidanyl-pentyl)purine-2,6-dione Openeye Name: 1-(5-hydroxy-4-methyl-pentyl)-3,7-dimethyl-purine-2,6-dione CAS Name: 1-(5-hydroxy-4-methylpentyl)-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-(5-hydroxy-4-methylpentyl)-3,7-dimethylpurine-2,6-dione Traditional Name: 1-(5-hydroxy-4-methyl-pentyl)-3,7-dimethyl-xanthine Formula: C13H20N4O3 MolecularWeight: 280.3229

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)CO

Isomeric SMILES

CC(CCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)CO

InChI

InChI=1S/C13H20N4O3/c1-9(7-18)5-4-6-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8-9,18H,4-7H2,1-3H3