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

Systemtic Name: 4-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propoxy]pyrimidine-2-carbonitrile Openeye Name: 4-[3-[4-(benzothiophen-4-yl)piperazin-1-yl]propoxy]pyrimidine-2-carbonitrile CAS Name: 4-[3-[4-(1-benzothiophen-4-yl)-1-piperazinyl]propoxy]-2-pyrimidinecarbonitrile IUPAC Name: 4-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propoxy]pyrimidine-2-carbonitrile Traditional Name: 4-[3-[4-(benzothiophen-4-yl)piperazino]propoxy]pyrimidine-2-carbonitrile Formula: C20H21N5OS MolecularWeight: 379.47864

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCOC2=NC(=NC=C2)C#N)C3=C4C=CSC4=CC=C3

Isomeric SMILES

C1CN(CCN1CCCOC2=NC(=NC=C2)C#N)C3=C4C=CSC4=CC=C3

InChI

InChI=1S/C20H21N5OS/c21-15-19-22-7-5-20(23-19)26-13-2-8-24-9-11-25(12-10-24)17-3-1-4-18-16(17)6-14-27-18/h1,3-7,14H,2,8-13H2