2-[4-(dibenzothiophen-4-ylmethyl)piperazin-1-yl]pyrimidine

Systemtic Name: 2-[4-(dibenzothiophen-4-ylmethyl)piperazin-1-yl]pyrimidine Openeye Name: 2-[4-(dibenzothiophen-4-ylmethyl)piperazin-1-yl]pyrimidine CAS Name: 2-[4-(4-dibenzothiophenylmethyl)-1-piperazinyl]pyrimidine IUPAC Name: 2-[4-(dibenzothiophen-4-ylmethyl)piperazin-1-yl]pyrimidine Traditional Name: 2-[4-(dibenzothiophen-4-ylmethyl)piperazino]pyrimidine Formula: C21H20N4S MolecularWeight: 360.4753

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC3=C2SC4=CC=CC=C34)C5=NC=CC=N5

Isomeric SMILES

C1CN(CCN1CC2=CC=CC3=C2SC4=CC=CC=C34)C5=NC=CC=N5

InChI

InChI=1S/C21H20N4S/c1-2-8-19-17(6-1)18-7-3-5-16(20(18)26-19)15-24-11-13-25(14-12-24)21-22-9-4-10-23-21/h1-10H,11-15H2