8-(3-ethoxypropylamino)-3,7-dimethyl-1-(5-oxidanylhexyl)purine-2,6-dione

Systemtic Name: 8-(3-ethoxypropylamino)-3,7-dimethyl-1-(5-oxidanylhexyl)purine-2,6-dione Openeye Name: 8-(3-ethoxypropylamino)-1-(5-hydroxyhexyl)-3,7-dimethyl-purine-2,6-dione CAS Name: 8-(3-ethoxypropylamino)-1-(5-hydroxyhexyl)-3,7-dimethylpurine-2,6-dione IUPAC Name: 8-(3-ethoxypropylamino)-1-(5-hydroxyhexyl)-3,7-dimethylpurine-2,6-dione Traditional Name: 8-(3-ethoxypropylamino)-1-(5-hydroxyhexyl)-3,7-dimethyl-xanthine Formula: C18H31N5O4 MolecularWeight: 381.46984

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC1=NC2=C(N1C)C(=O)N(C(=O)N2C)CCCCC(C)O

Isomeric SMILES

CCOCCCNC1=NC2=C(N1C)C(=O)N(C(=O)N2C)CCCCC(C)O

InChI

InChI=1S/C18H31N5O4/c1-5-27-12-8-10-19-17-20-15-14(21(17)3)16(25)23(18(26)22(15)4)11-7-6-9-13(2)24/h13,24H,5-12H2,1-4H3,(H,19,20)