1,3-dimethyl-7-[3-[2-(5-oxidanyl-1H-indol-3-yl)ethylamino]propyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[3-[2-(5-oxidanyl-1H-indol-3-yl)ethylamino]propyl]purine-2,6-dione Openeye Name: 7-[3-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[3-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]propyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[3-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]propyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[3-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]propyl]-1,3-dimethyl-xanthine Formula: C20H24N6O3 MolecularWeight: 396.44296

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCNCCC3=CNC4=C3C=C(C=C4)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCNCCC3=CNC4=C3C=C(C=C4)O

InChI

InChI=1S/C20H24N6O3/c1-24-18-17(19(28)25(2)20(24)29)26(12-23-18)9-3-7-21-8-6-13-11-22-16-5-4-14(27)10-15(13)16/h4-5,10-12,21-22,27H,3,6-9H2,1-2H3