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

Systemtic Name: 4-[4-[3-(2,3-dihydro-1-benzothiophen-3-yl)propyl]-3-methyl-piperazin-1-yl]-5-methoxy-pyrimidine Openeye Name: 4-[4-[3-(2,3-dihydrobenzothiophen-3-yl)propyl]-3-methyl-piperazin-1-yl]-5-methoxy-pyrimidine CAS Name: 4-[4-[3-(2,3-dihydro-1-benzothiophen-3-yl)propyl]-3-methyl-1-piperazinyl]-5-methoxypyrimidine IUPAC Name: 4-[4-[3-(2,3-dihydro-1-benzothiophen-3-yl)propyl]-3-methylpiperazin-1-yl]-5-methoxypyrimidine Traditional Name: 4-[4-[3-(2,3-dihydrobenzothiophen-3-yl)propyl]-3-methyl-piperazino]-5-methoxy-pyrimidine Formula: C21H28N4OS MolecularWeight: 384.53822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4OS/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