3,7-dimethyl-1-(6-oxidanylheptan-2-yl)purine-2,6-dione

Systemtic Name: 3,7-dimethyl-1-(6-oxidanylheptan-2-yl)purine-2,6-dione Openeye Name: 1-(5-hydroxy-1-methyl-hexyl)-3,7-dimethyl-purine-2,6-dione CAS Name: 1-(6-hydroxyheptan-2-yl)-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-(6-hydroxyheptan-2-yl)-3,7-dimethylpurine-2,6-dione Traditional Name: 1-(5-hydroxy-1-methyl-hexyl)-3,7-dimethyl-xanthine Formula: C14H22N4O3 MolecularWeight: 294.34948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC(C)O)N1C(=O)C2=C(N=CN2C)N(C1=O)C

Isomeric SMILES

CC(CCCC(C)O)N1C(=O)C2=C(N=CN2C)N(C1=O)C

InChI

InChI=1S/C14H22N4O3/c1-9(6-5-7-10(2)19)18-13(20)11-12(15-8-16(11)3)17(4)14(18)21/h8-10,19H,5-7H2,1-4H3