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

Systemtic Name: 4-[4-[3-(5-fluoranyl-1-benzothiophen-3-yl)propyl]-3-methyl-piperazin-1-yl]-5-methoxy-pyrimidine Openeye Name: 4-[4-[3-(5-fluorobenzothiophen-3-yl)propyl]-3-methyl-piperazin-1-yl]-5-methoxy-pyrimidine CAS Name: 4-[4-[3-(5-fluoro-1-benzothiophen-3-yl)propyl]-3-methyl-1-piperazinyl]-5-methoxypyrimidine IUPAC Name: 4-[4-[3-(5-fluoro-1-benzothiophen-3-yl)propyl]-3-methylpiperazin-1-yl]-5-methoxypyrimidine Traditional Name: 4-[4-[3-(5-fluorobenzothiophen-3-yl)propyl]-3-methyl-piperazino]-5-methoxy-pyrimidine Formula: C21H25FN4OS MolecularWeight: 400.512803

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1CCCC2=CSC3=C2C=C(C=C3)F)C4=NC=NC=C4OC

Isomeric SMILES

CC1CN(CCN1CCCC2=CSC3=C2C=C(C=C3)F)C4=NC=NC=C4OC

InChI

InChI=1S/C21H25FN4OS/c1-15-12-26(21-19(27-2)11-23-14-24-21)9-8-25(15)7-3-4-16-13-28-20-6-5-17(22)10-18(16)20/h5-6,10-11,13-15H,3-4,7-9,12H2,1-2H3