8-(5-azanylpentylamino)-3,7-dimethyl-1-(5-oxidanylhexyl)purine-2,6-dione

Systemtic Name: 8-(5-azanylpentylamino)-3,7-dimethyl-1-(5-oxidanylhexyl)purine-2,6-dione Openeye Name: 8-(5-aminopentylamino)-1-(5-hydroxyhexyl)-3,7-dimethyl-purine-2,6-dione CAS Name: 8-(5-aminopentylamino)-1-(5-hydroxyhexyl)-3,7-dimethylpurine-2,6-dione IUPAC Name: 8-(5-aminopentylamino)-1-(5-hydroxyhexyl)-3,7-dimethylpurine-2,6-dione Traditional Name: 8-(5-aminopentylamino)-1-(5-hydroxyhexyl)-3,7-dimethyl-xanthine Formula: C18H32N6O3 MolecularWeight: 380.48508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCN1C(=O)C2=C(N=C(N2C)NCCCCCN)N(C1=O)C)O

Isomeric SMILES

CC(CCCCN1C(=O)C2=C(N=C(N2C)NCCCCCN)N(C1=O)C)O

InChI

InChI=1S/C18H32N6O3/c1-13(25)9-5-8-12-24-16(26)14-15(23(3)18(24)27)21-17(22(14)2)20-11-7-4-6-10-19/h13,25H,4-12,19H2,1-3H3,(H,20,21)