N-(ethylsulfonylmethyl)-5-(1H-indol-3-yl)-1-(5-methoxypyrimidin-4-yl)-4-propyl-piperazin-2-amine hydrate hydrochloride

Systemtic Name: N-(ethylsulfonylmethyl)-5-(1H-indol-3-yl)-1-(5-methoxypyrimidin-4-yl)-4-propyl-piperazin-2-amine hydrate hydrochloride Openeye Name: N-(ethylsulfonylmethyl)-5-(1H-indol-3-yl)-1-(5-methoxypyrimidin-4-yl)-4-propyl-piperazin-2-amine hydrate hydrochloride CAS Name: N-(ethylsulfonylmethyl)-5-(1H-indol-3-yl)-1-(5-methoxy-4-pyrimidinyl)-4-propyl-2-piperazinamine hydrate hydrochloride IUPAC Name: N-(ethylsulfonylmethyl)-5-(1H-indol-3-yl)-1-(5-methoxypyrimidin-4-yl)-4-propylpiperazin-2-amine hydrate hydrochloride Traditional Name: esylmethyl-[5-(1H-indol-3-yl)-1-(5-methoxypyrimidin-4-yl)-4-propyl-piperazin-2-yl]amine hydrate hydrochloride Formula: C23H35ClN6O4S MolecularWeight: 527.0798

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CC(N(CC1C2=CNC3=CC=CC=C32)C4=NC=NC=C4OC)NCS(=O)(=O)CC.O.Cl

Isomeric SMILES

CCCN1CC(N(CC1C2=CNC3=CC=CC=C32)C4=NC=NC=C4OC)NCS(=O)(=O)CC.O.Cl

InChI

InChI=1S/C23H32N6O3S.ClH.H2O/c1-4-10-28-14-22(27-16-33(30,31)5-2)29(23-21(32-3)12-24-15-26-23)13-20(28)18-11-25-19-9-7-6-8-17(18)19;;/h6-9,11-12,15,20,22,25,27H,4-5,10,13-14,16H2,1-3H3;1H;1H2