6-azanylhexan-1-ol; 3,7-dimethyl-1-(5-oxidanylhexyl)purine-2,6-dione

Systemtic Name: 6-azanylhexan-1-ol; 3,7-dimethyl-1-(5-oxidanylhexyl)purine-2,6-dione Openeye Name: 6-aminohexan-1-ol; 1-(5-hydroxyhexyl)-3,7-dimethyl-purine-2,6-dione CAS Name: 6-amino-1-hexanol; 1-(5-hydroxyhexyl)-3,7-dimethylpurine-2,6-dione IUPAC Name: 6-aminohexan-1-ol; 1-(5-hydroxyhexyl)-3,7-dimethylpurine-2,6-dione Traditional Name: 6-aminohexan-1-ol; 1-(5-hydroxyhexyl)-3,7-dimethyl-xanthine Formula: C19H35N5O4 MolecularWeight: 397.5123

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)O.C(CCCO)CCN

Isomeric SMILES

CC(CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)O.C(CCCO)CCN

InChI

InChI=1S/C13H20N4O3.C6H15NO/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20;7-5-3-1-2-4-6-8/h8-9,18H,4-7H2,1-3H3;8H,1-7H2