3-[3-[4-(5-ethoxypyrimidin-4-yl)piperazin-1-yl]propyl]-1H-indole hydrate hydrochloride

Systemtic Name: 3-[3-[4-(5-ethoxypyrimidin-4-yl)piperazin-1-yl]propyl]-1H-indole hydrate hydrochloride Openeye Name: 3-[3-[4-(5-ethoxypyrimidin-4-yl)piperazin-1-yl]propyl]-1H-indole hydrate hydrochloride CAS Name: 3-[3-[4-(5-ethoxy-4-pyrimidinyl)-1-piperazinyl]propyl]-1H-indole hydrate hydrochloride IUPAC Name: 3-[3-[4-(5-ethoxypyrimidin-4-yl)piperazin-1-yl]propyl]-1H-indole hydrate hydrochloride Traditional Name: 3-[3-[4-(5-ethoxypyrimidin-4-yl)piperazino]propyl]-1H-indole hydrate hydrochloride Formula: C21H30ClN5O2 MolecularWeight: 419.9482

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CN=CN=C1N2CCN(CC2)CCCC3=CNC4=CC=CC=C43.O.Cl

Isomeric SMILES

CCOC1=CN=CN=C1N2CCN(CC2)CCCC3=CNC4=CC=CC=C43.O.Cl

InChI

InChI=1S/C21H27N5O.ClH.H2O/c1-2-27-20-15-22-16-24-21(20)26-12-10-25(11-13-26)9-5-6-17-14-23-19-8-4-3-7-18(17)19;;/h3-4,7-8,14-16,23H,2,5-6,9-13H2,1H3;1H;1H2