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

Systemtic Name: N-(ethylsulfonylmethyl)-5-(1H-indol-3-yl)-1-(5-methoxypyrimidin-4-yl)-6-methyl-4-propyl-piperazin-2-amine hydrate hydrochloride Openeye Name: N-(ethylsulfonylmethyl)-5-(1H-indol-3-yl)-1-(5-methoxypyrimidin-4-yl)-6-methyl-4-propyl-piperazin-2-amine hydrate hydrochloride CAS Name: N-(ethylsulfonylmethyl)-5-(1H-indol-3-yl)-1-(5-methoxy-4-pyrimidinyl)-6-methyl-4-propyl-2-piperazinamine hydrate hydrochloride IUPAC Name: N-(ethylsulfonylmethyl)-5-(1H-indol-3-yl)-1-(5-methoxypyrimidin-4-yl)-6-methyl-4-propylpiperazin-2-amine hydrate hydrochloride Traditional Name: esylmethyl-[5-(1H-indol-3-yl)-1-(5-methoxypyrimidin-4-yl)-6-methyl-4-propyl-piperazin-2-yl]amine hydrate hydrochloride Formula: C24H37ClN6O4S MolecularWeight: 541.10638

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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)CC.O.Cl

Isomeric SMILES

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

InChI

InChI=1S/C24H34N6O3S.ClH.H2O/c1-5-11-29-14-22(28-16-34(31,32)6-2)30(24-21(33-4)13-25-15-27-24)17(3)23(29)19-12-26-20-10-8-7-9-18(19)20;;/h7-10,12-13,15,17,22-23,26,28H,5-6,11,14,16H2,1-4H3;1H;1H2