4-[4-[3-(1-benzothiophen-3-yl)propyl]-2-methyl-piperazin-1-yl]-5-methoxy-pyrimidine hydrochloride

Systemtic Name: 4-[4-[3-(1-benzothiophen-3-yl)propyl]-2-methyl-piperazin-1-yl]-5-methoxy-pyrimidine hydrochloride Openeye Name: 4-[4-[3-(benzothiophen-3-yl)propyl]-2-methyl-piperazin-1-yl]-5-methoxy-pyrimidine hydrochloride CAS Name: 4-[4-[3-(1-benzothiophen-3-yl)propyl]-2-methyl-1-piperazinyl]-5-methoxypyrimidine hydrochloride IUPAC Name: 4-[4-[3-(1-benzothiophen-3-yl)propyl]-2-methylpiperazin-1-yl]-5-methoxypyrimidine hydrochloride Traditional Name: 4-[4-[3-(benzothiophen-3-yl)propyl]-2-methyl-piperazino]-5-methoxy-pyrimidine hydrochloride Formula: C21H27ClN4OS MolecularWeight: 418.98328

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=NC=NC=C2OC)CCCC3=CSC4=CC=CC=C43.Cl

Isomeric SMILES

CC1CN(CCN1C2=NC=NC=C2OC)CCCC3=CSC4=CC=CC=C43.Cl

InChI

InChI=1S/C21H26N4OS.ClH/c1-16-13-24(10-11-25(16)21-19(26-2)12-22-15-23-21)9-5-6-17-14-27-20-8-4-3-7-18(17)20;/h3-4,7-8,12,14-16H,5-6,9-11,13H2,1-2H3;1H