3-ethyl-1-(6-methyl-6-oxidanyl-heptyl)-7H-purine-2,6-dione

Systemtic Name: 3-ethyl-1-(6-methyl-6-oxidanyl-heptyl)-7H-purine-2,6-dione Openeye Name: 3-ethyl-1-(6-hydroxy-6-methyl-heptyl)-7H-purine-2,6-dione CAS Name: 3-ethyl-1-(6-hydroxy-6-methylheptyl)-7H-purine-2,6-dione IUPAC Name: 3-ethyl-1-(6-hydroxy-6-methylheptyl)-7H-purine-2,6-dione Traditional Name: 3-ethyl-1-(6-hydroxy-6-methyl-heptyl)-7H-purine-2,6-quinone Formula: C15H24N4O3 MolecularWeight: 308.37606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)N(C1=O)CCCCCC(C)(C)O)NC=N2

Isomeric SMILES

CCN1C2=C(C(=O)N(C1=O)CCCCCC(C)(C)O)NC=N2

InChI

InChI=1S/C15H24N4O3/c1-4-18-12-11(16-10-17-12)13(20)19(14(18)21)9-7-5-6-8-15(2,3)22/h10,22H,4-9H2,1-3H3,(H,16,17)