1-(6-methyl-6-oxidanyl-heptyl)-3,7-dihydropurine-2,6-dione

Systemtic Name: 1-(6-methyl-6-oxidanyl-heptyl)-3,7-dihydropurine-2,6-dione Openeye Name: 1-(6-hydroxy-6-methyl-heptyl)-3,7-dihydropurine-2,6-dione CAS Name: 1-(6-hydroxy-6-methylheptyl)-3,7-dihydropurine-2,6-dione IUPAC Name: 1-(6-hydroxy-6-methylheptyl)-3,7-dihydropurine-2,6-dione Traditional Name: 1-(6-hydroxy-6-methyl-heptyl)-7H-xanthine Formula: C13H20N4O3 MolecularWeight: 280.3229

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCCCN1C(=O)C2=C(NC1=O)N=CN2)O

Isomeric SMILES

CC(C)(CCCCCN1C(=O)C2=C(NC1=O)N=CN2)O

InChI

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