1-[11-[3-(diethylamino)propylamino]-10-oxidanyl-undecyl]-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 1-[11-[3-(diethylamino)propylamino]-10-oxidanyl-undecyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[11-[3-(diethylamino)propylamino]-10-hydroxy-undecyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[11-[3-(diethylamino)propylamino]-10-hydroxyundecyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[11-[3-(diethylamino)propylamino]-10-hydroxyundecyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[11-[3-(diethylamino)propylamino]-10-hydroxy-undecyl]-3,7-dimethyl-xanthine Formula: C25H46N6O3 MolecularWeight: 478.67114

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCNCC(CCCCCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)O

Isomeric SMILES

CCN(CC)CCCNCC(CCCCCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)O

InChI

InChI=1S/C25H46N6O3/c1-5-30(6-2)17-14-16-26-19-21(32)15-12-10-8-7-9-11-13-18-31-24(33)22-23(27-20-28(22)3)29(4)25(31)34/h20-21,26,32H,5-19H2,1-4H3