3-methyl-1-[8-oxidanyl-9-(tetradecylamino)nonyl]-7H-purine-2,6-dione

Systemtic Name: 3-methyl-1-[8-oxidanyl-9-(tetradecylamino)nonyl]-7H-purine-2,6-dione Openeye Name: 1-[8-hydroxy-9-(tetradecylamino)nonyl]-3-methyl-7H-purine-2,6-dione CAS Name: 1-[8-hydroxy-9-(tetradecylamino)nonyl]-3-methyl-7H-purine-2,6-dione IUPAC Name: 1-[8-hydroxy-9-(tetradecylamino)nonyl]-3-methyl-7H-purine-2,6-dione Traditional Name: 1-[8-hydroxy-9-(myristylamino)nonyl]-3-methyl-7H-purine-2,6-quinone Formula: C29H53N5O3 MolecularWeight: 519.76282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCNCC(CCCCCCCN1C(=O)C2=C(N=CN2)N(C1=O)C)O

Isomeric SMILES

CCCCCCCCCCCCCCNCC(CCCCCCCN1C(=O)C2=C(N=CN2)N(C1=O)C)O

InChI

InChI=1S/C29H53N5O3/c1-3-4-5-6-7-8-9-10-11-12-15-18-21-30-23-25(35)20-17-14-13-16-19-22-34-28(36)26-27(32-24-31-26)33(2)29(34)37/h24-25,30,35H,3-23H2,1-2H3,(H,31,32)