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

Systemtic Name: 1-[11-(3-butoxypropylamino)-10-oxidanyl-undecyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[11-(3-butoxypropylamino)-10-hydroxy-undecyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[11-(3-butoxypropylamino)-10-hydroxyundecyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[11-(3-butoxypropylamino)-10-hydroxyundecyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[11-(3-butoxypropylamino)-10-hydroxy-undecyl]-3,7-dimethyl-xanthine Formula: C25H45N5O4 MolecularWeight: 479.6559

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCCCNCC(CCCCCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)O

Isomeric SMILES

CCCCOCCCNCC(CCCCCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)O

InChI

InChI=1S/C25H45N5O4/c1-4-5-17-34-18-13-15-26-19-21(31)14-11-9-7-6-8-10-12-16-30-24(32)22-23(27-20-28(22)2)29(3)25(30)33/h20-21,26,31H,4-19H2,1-3H3