4-[2-(1-benzothiophen-2-yl)-3-(phenylmethyl)piperazin-2-yl]pyrimidine

Systemtic Name: 4-[2-(1-benzothiophen-2-yl)-3-(phenylmethyl)piperazin-2-yl]pyrimidine Openeye Name: 4-[2-(benzothiophen-2-yl)-3-benzyl-piperazin-2-yl]pyrimidine CAS Name: 4-[2-(1-benzothiophen-2-yl)-3-(phenylmethyl)-2-piperazinyl]pyrimidine IUPAC Name: 4-[2-(1-benzothiophen-2-yl)-3-benzylpiperazin-2-yl]pyrimidine Traditional Name: 4-[2-(benzothiophen-2-yl)-3-benzyl-piperazin-2-yl]pyrimidine Formula: C23H22N4S MolecularWeight: 386.51258

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(C(N1)CC2=CC=CC=C2)(C3=NC=NC=C3)C4=CC5=CC=CC=C5S4

Isomeric SMILES

C1CNC(C(N1)CC2=CC=CC=C2)(C3=NC=NC=C3)C4=CC5=CC=CC=C5S4

InChI

InChI=1S/C23H22N4S/c1-2-6-17(7-3-1)14-21-23(27-13-12-25-21,20-10-11-24-16-26-20)22-15-18-8-4-5-9-19(18)28-22/h1-11,15-16,21,25,27H,12-14H2