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

Systemtic Name: 7-[3-[2-(1H-indol-3-yl)ethylamino]propyl]-1,3-dimethyl-purine-2,6-dione hydrochloride Openeye Name: 7-[3-[2-(1H-indol-3-yl)ethylamino]propyl]-1,3-dimethyl-purine-2,6-dione hydrochloride CAS Name: 7-[3-[2-(1H-indol-3-yl)ethylamino]propyl]-1,3-dimethylpurine-2,6-dione hydrochloride IUPAC Name: 7-[3-[2-(1H-indol-3-yl)ethylamino]propyl]-1,3-dimethylpurine-2,6-dione hydrochloride Traditional Name: 7-[3-[2-(1H-indol-3-yl)ethylamino]propyl]-1,3-dimethyl-xanthine hydrochloride Formula: C20H25ClN6O2 MolecularWeight: 416.9045

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCNCCC3=CNC4=CC=CC=C43.Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCNCCC3=CNC4=CC=CC=C43.Cl

InChI

InChI=1S/C20H24N6O2.ClH/c1-24-18-17(19(27)25(2)20(24)28)26(13-23-18)11-5-9-21-10-8-14-12-22-16-7-4-3-6-15(14)16;/h3-4,6-7,12-13,21-22H,5,8-11H2,1-2H3;1H