1-[2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-4,6-dimethyl-pyrimidin-5-yl]ethanone trihydrochloride

Systemtic Name: 1-[2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-4,6-dimethyl-pyrimidin-5-yl]ethanone trihydrochloride Openeye Name: 1-[2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-4,6-dimethyl-pyrimidin-5-yl]ethanone trihydrochloride CAS Name: 1-[2-[2-[4-(2-methoxyphenyl)-1-piperazinyl]ethylamino]-4,6-dimethyl-5-pyrimidinyl]ethanone trihydrochloride IUPAC Name: 1-[2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-4,6-dimethylpyrimidin-5-yl]ethanone trihydrochloride Traditional Name: 1-[2-[2-[4-(2-methoxyphenyl)piperazino]ethylamino]-4,6-dimethyl-pyrimidin-5-yl]ethanone trihydrochloride Formula: C21H32Cl3N5O2 MolecularWeight: 492.87008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)NCCN2CCN(CC2)C3=CC=CC=C3OC)C)C(=O)C.Cl.Cl.Cl

Isomeric SMILES

CC1=C(C(=NC(=N1)NCCN2CCN(CC2)C3=CC=CC=C3OC)C)C(=O)C.Cl.Cl.Cl

InChI

InChI=1S/C21H29N5O2.3ClH/c1-15-20(17(3)27)16(2)24-21(23-15)22-9-10-25-11-13-26(14-12-25)18-7-5-6-8-19(18)28-4;;;/h5-8H,9-14H2,1-4H3,(H,22,23,24);3*1H