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

Systemtic Name: 4-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propoxy]pyrimidine-2-carboxamide Openeye Name: 4-[3-[4-(benzothiophen-4-yl)piperazin-1-yl]propoxy]pyrimidine-2-carboxamide CAS Name: 4-[3-[4-(1-benzothiophen-4-yl)-1-piperazinyl]propoxy]-2-pyrimidinecarboxamide IUPAC Name: 4-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propoxy]pyrimidine-2-carboxamide Traditional Name: 4-[3-[4-(benzothiophen-4-yl)piperazino]propoxy]pyrimidine-2-carboxamide Formula: C20H23N5O2S MolecularWeight: 397.49392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N5O2S/c21-19(26)20-22-7-5-18(23-20)27-13-2-8-24-9-11-25(12-10-24)16-3-1-4-17-15(16)6-14-28-17/h1,3-7,14H,2,8-13H2,(H2,21,26)