1,3,7-trimethyl-8-[2-(5-oxidanyl-1H-indol-3-yl)ethylamino]purine-2,6-dione

Systemtic Name: 1,3,7-trimethyl-8-[2-(5-oxidanyl-1H-indol-3-yl)ethylamino]purine-2,6-dione Openeye Name: 8-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]-1,3,7-trimethylpurine-2,6-dione Traditional Name: 8-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]-1,3,7-trimethyl-xanthine Formula: C18H20N6O3 MolecularWeight: 368.3898

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1NCCC3=CNC4=C3C=C(C=C4)O)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1NCCC3=CNC4=C3C=C(C=C4)O)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C18H20N6O3/c1-22-14-15(23(2)18(27)24(3)16(14)26)21-17(22)19-7-6-10-9-20-13-5-4-11(25)8-12(10)13/h4-5,8-9,20,25H,6-7H2,1-3H3,(H,19,21)