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

Systemtic Name: 1,3-dimethyl-7-[2-[2-(5-oxidanyl-1H-indol-3-yl)ethylamino]ethyl]purine-2,6-dione Openeye Name: 7-[2-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]ethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]ethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]ethyl]-1,3-dimethyl-xanthine Formula: C19H22N6O3 MolecularWeight: 382.41638

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNCCC3=CNC4=C3C=C(C=C4)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNCCC3=CNC4=C3C=C(C=C4)O

InChI

InChI=1S/C19H22N6O3/c1-23-17-16(18(27)24(2)19(23)28)25(11-22-17)8-7-20-6-5-12-10-21-15-4-3-13(26)9-14(12)15/h3-4,9-11,20-21,26H,5-8H2,1-2H3