8-(hexylamino)-3-methyl-7-(2-oxidanyl-3-propan-2-yloxy-propyl)purine-2,6-dione

Systemtic Name: 8-(hexylamino)-3-methyl-7-(2-oxidanyl-3-propan-2-yloxy-propyl)purine-2,6-dione Openeye Name: 8-(hexylamino)-7-(2-hydroxy-3-isopropoxy-propyl)-3-methyl-purine-2,6-dione CAS Name: 8-(hexylamino)-7-(2-hydroxy-3-propan-2-yloxypropyl)-3-methylpurine-2,6-dione IUPAC Name: 8-(hexylamino)-7-(2-hydroxy-3-propan-2-yloxypropyl)-3-methylpurine-2,6-dione Traditional Name: 8-(hexylamino)-7-(2-hydroxy-3-isopropoxy-propyl)-3-methyl-xanthine Formula: C18H31N5O4 MolecularWeight: 381.46984

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC1=NC2=C(N1CC(COC(C)C)O)C(=O)NC(=O)N2C

Isomeric SMILES

CCCCCCNC1=NC2=C(N1CC(COC(C)C)O)C(=O)NC(=O)N2C

InChI

InChI=1S/C18H31N5O4/c1-5-6-7-8-9-19-17-20-15-14(16(25)21-18(26)22(15)4)23(17)10-13(24)11-27-12(2)3/h12-13,24H,5-11H2,1-4H3,(H,19,20)(H,21,25,26)