3,7-dimethyl-1-[1-(nonan-2-ylamino)-8-oxidanyl-nonyl]purine-2,6-dione

Systemtic Name: 3,7-dimethyl-1-[1-(nonan-2-ylamino)-8-oxidanyl-nonyl]purine-2,6-dione Openeye Name: 1-[8-hydroxy-1-(1-methyloctylamino)nonyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[8-hydroxy-1-(nonan-2-ylamino)nonyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[8-hydroxy-1-(nonan-2-ylamino)nonyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[8-hydroxy-1-(1-methyloctylamino)nonyl]-3,7-dimethyl-xanthine Formula: C25H45N5O3 MolecularWeight: 463.6565

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(C)NC(CCCCCCC(C)O)N1C(=O)C2=C(N=CN2C)N(C1=O)C

Isomeric SMILES

CCCCCCCC(C)NC(CCCCCCC(C)O)N1C(=O)C2=C(N=CN2C)N(C1=O)C

InChI

InChI=1S/C25H45N5O3/c1-6-7-8-9-12-15-19(2)27-21(17-14-11-10-13-16-20(3)31)30-24(32)22-23(26-18-28(22)4)29(5)25(30)33/h18-21,27,31H,6-17H2,1-5H3