3,7-dimethyl-1-(5-oxidanylhexyl)purine-2,6-dione; 6-methyloctadecan-1-amine

Systemtic Name: 3,7-dimethyl-1-(5-oxidanylhexyl)purine-2,6-dione; 6-methyloctadecan-1-amine Openeye Name: 1-(5-hydroxyhexyl)-3,7-dimethyl-purine-2,6-dione; 6-methyloctadecan-1-amine CAS Name: 1-(5-hydroxyhexyl)-3,7-dimethylpurine-2,6-dione; 6-methyl-1-octadecanamine IUPAC Name: 1-(5-hydroxyhexyl)-3,7-dimethylpurine-2,6-dione; 6-methyloctadecan-1-amine Traditional Name: 1-(5-hydroxyhexyl)-3,7-dimethyl-xanthine; 6-methyloctadecylamine Formula: C32H61N5O3 MolecularWeight: 563.85844

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(C)CCCCCN.CC(CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)O

Isomeric SMILES

CCCCCCCCCCCCC(C)CCCCCN.CC(CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)O

InChI

InChI=1S/C19H41N.C13H20N4O3/c1-3-4-5-6-7-8-9-10-11-13-16-19(2)17-14-12-15-18-20;1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h19H,3-18,20H2,1-2H3;8-9,18H,4-7H2,1-3H3