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

Systemtic Name: 4-[4-[3-(2,3-dihydro-1-benzothiophen-3-yl)propyl]-3-methyl-piperazin-1-yl]-5-methoxy-pyrimidine hydrochloride Openeye Name: 4-[4-[3-(2,3-dihydrobenzothiophen-3-yl)propyl]-3-methyl-piperazin-1-yl]-5-methoxy-pyrimidine hydrochloride CAS Name: 4-[4-[3-(2,3-dihydro-1-benzothiophen-3-yl)propyl]-3-methyl-1-piperazinyl]-5-methoxypyrimidine hydrochloride IUPAC Name: 4-[4-[3-(2,3-dihydro-1-benzothiophen-3-yl)propyl]-3-methylpiperazin-1-yl]-5-methoxypyrimidine hydrochloride Traditional Name: 4-[4-[3-(2,3-dihydrobenzothiophen-3-yl)propyl]-3-methyl-piperazino]-5-methoxy-pyrimidine hydrochloride Formula: C21H29ClN4OS MolecularWeight: 420.99916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1CCCC2CSC3=CC=CC=C23)C4=NC=NC=C4OC.Cl

Isomeric SMILES

CC1CN(CCN1CCCC2CSC3=CC=CC=C23)C4=NC=NC=C4OC.Cl

InChI

InChI=1S/C21H28N4OS.ClH/c1-16-13-25(21-19(26-2)12-22-15-23-21)11-10-24(16)9-5-6-17-14-27-20-8-4-3-7-18(17)20;/h3-4,7-8,12,15-17H,5-6,9-11,13-14H2,1-2H3;1H