5-(1H-indol-3-yl)-1-(5-methoxypyrimidin-4-yl)-6-methyl-N-(methylsulfonylmethyl)-4-propyl-piperazin-2-amine hydrate hydrochloride

Systemtic Name: 5-(1H-indol-3-yl)-1-(5-methoxypyrimidin-4-yl)-6-methyl-N-(methylsulfonylmethyl)-4-propyl-piperazin-2-amine hydrate hydrochloride Openeye Name: 5-(1H-indol-3-yl)-1-(5-methoxypyrimidin-4-yl)-6-methyl-N-(methylsulfonylmethyl)-4-propyl-piperazin-2-amine hydrate hydrochloride CAS Name: 5-(1H-indol-3-yl)-1-(5-methoxy-4-pyrimidinyl)-6-methyl-N-(methylsulfonylmethyl)-4-propyl-2-piperazinamine hydrate hydrochloride IUPAC Name: 5-(1H-indol-3-yl)-1-(5-methoxypyrimidin-4-yl)-6-methyl-N-(methylsulfonylmethyl)-4-propylpiperazin-2-amine hydrate hydrochloride Traditional Name: [5-(1H-indol-3-yl)-1-(5-methoxypyrimidin-4-yl)-6-methyl-4-propyl-piperazin-2-yl]-(mesylmethyl)amine hydrate hydrochloride Formula: C23H35ClN6O4S MolecularWeight: 527.0798

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CC(N(C(C1C2=CNC3=CC=CC=C32)C)C4=NC=NC=C4OC)NCS(=O)(=O)C.O.Cl

Isomeric SMILES

CCCN1CC(N(C(C1C2=CNC3=CC=CC=C32)C)C4=NC=NC=C4OC)NCS(=O)(=O)C.O.Cl

InChI

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