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

Systemtic Name: 4-[4-[2-(2,3-dihydro-1-benzothiophen-3-yl)propyl]-3-methyl-piperazin-1-yl]-5-methoxy-pyrimidine Openeye Name: 4-[4-[2-(2,3-dihydrobenzothiophen-3-yl)propyl]-3-methyl-piperazin-1-yl]-5-methoxy-pyrimidine CAS Name: 4-[4-[2-(2,3-dihydro-1-benzothiophen-3-yl)propyl]-3-methyl-1-piperazinyl]-5-methoxypyrimidine IUPAC Name: 4-[4-[2-(2,3-dihydro-1-benzothiophen-3-yl)propyl]-3-methylpiperazin-1-yl]-5-methoxypyrimidine Traditional Name: 4-[4-[2-(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(CCN1CC(C)C2CSC3=CC=CC=C23)C4=NC=NC=C4OC

Isomeric SMILES

CC1CN(CCN1CC(C)C2CSC3=CC=CC=C23)C4=NC=NC=C4OC

InChI

InChI=1S/C21H28N4OS/c1-15(18-13-27-20-7-5-4-6-17(18)20)11-24-8-9-25(12-16(24)2)21-19(26-3)10-22-14-23-21/h4-7,10,14-16,18H,8-9,11-13H2,1-3H3