3,7-dimethyl-1-(8-oxidanylnonyl)purine-2,6-dione; 9-methyloctadecan-1-amine

Systemtic Name: 3,7-dimethyl-1-(8-oxidanylnonyl)purine-2,6-dione; 9-methyloctadecan-1-amine Openeye Name: 1-(8-hydroxynonyl)-3,7-dimethyl-purine-2,6-dione; 9-methyloctadecan-1-amine CAS Name: 1-(8-hydroxynonyl)-3,7-dimethylpurine-2,6-dione; 9-methyl-1-octadecanamine IUPAC Name: 1-(8-hydroxynonyl)-3,7-dimethylpurine-2,6-dione; 9-methyloctadecan-1-amine Traditional Name: 1-(8-hydroxynonyl)-3,7-dimethyl-xanthine; 9-methyloctadecylamine Formula: C35H67N5O3 MolecularWeight: 605.93818

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(C)CCCCCCCCN.CC(CCCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)O

Isomeric SMILES

CCCCCCCCCC(C)CCCCCCCCN.CC(CCCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)O

InChI

InChI=1S/C19H41N.C16H26N4O3/c1-3-4-5-6-7-10-13-16-19(2)17-14-11-8-9-12-15-18-20;1-12(21)9-7-5-4-6-8-10-20-15(22)13-14(17-11-18(13)2)19(3)16(20)23/h19H,3-18,20H2,1-2H3;11-12,21H,4-10H2,1-3H3