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

Systemtic Name: 1,3-dimethyl-7-[3-[2-(5-phenylmethoxy-1H-indol-3-yl)ethylamino]propyl]purine-2,6-dione Openeye Name: 7-[3-[2-(5-benzyloxy-1H-indol-3-yl)ethylamino]propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 1,3-dimethyl-7-[3-[2-(5-phenylmethoxy-1H-indol-3-yl)ethylamino]propyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[3-[2-(5-phenylmethoxy-1H-indol-3-yl)ethylamino]propyl]purine-2,6-dione Traditional Name: 7-[3-[2-(5-benzoxy-1H-indol-3-yl)ethylamino]propyl]-1,3-dimethyl-xanthine Formula: C27H30N6O3 MolecularWeight: 486.5655

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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)OCC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCNCCC3=CNC4=C3C=C(C=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C27H30N6O3/c1-31-25-24(26(34)32(2)27(31)35)33(18-30-25)14-6-12-28-13-11-20-16-29-23-10-9-21(15-22(20)23)36-17-19-7-4-3-5-8-19/h3-5,7-10,15-16,18,28-29H,6,11-14,17H2,1-2H3