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

Systemtic Name: 3-methyl-1-[9-(octylamino)-8-oxidanyl-nonyl]-7H-purine-2,6-dione Openeye Name: 1-[8-hydroxy-9-(octylamino)nonyl]-3-methyl-7H-purine-2,6-dione CAS Name: 1-[8-hydroxy-9-(octylamino)nonyl]-3-methyl-7H-purine-2,6-dione IUPAC Name: 1-[8-hydroxy-9-(octylamino)nonyl]-3-methyl-7H-purine-2,6-dione Traditional Name: 1-[8-hydroxy-9-(octylamino)nonyl]-3-methyl-7H-purine-2,6-quinone Formula: C23H41N5O3 MolecularWeight: 435.60334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H41N5O3/c1-3-4-5-6-9-12-15-24-17-19(29)14-11-8-7-10-13-16-28-22(30)20-21(26-18-25-20)27(2)23(28)31/h18-19,24,29H,3-17H2,1-2H3,(H,25,26)