3-[3-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-1-benzothiophene-5-carboxamide

Systemtic Name: 3-[3-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-1-benzothiophene-5-carboxamide Openeye Name: 3-[3-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]benzothiophene-5-carboxamide CAS Name: 3-[3-[4-(5-methoxy-4-pyrimidinyl)-1-piperazinyl]propyl]-1-benzothiophene-5-carboxamide IUPAC Name: 3-[3-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-1-benzothiophene-5-carboxamide Traditional Name: 3-[3-[4-(5-methoxypyrimidin-4-yl)piperazino]propyl]benzothiophene-5-carboxamide Formula: C21H25N5O2S MolecularWeight: 411.5205

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CN=CN=C1N2CCN(CC2)CCCC3=CSC4=C3C=C(C=C4)C(=O)N

Isomeric SMILES

COC1=CN=CN=C1N2CCN(CC2)CCCC3=CSC4=C3C=C(C=C4)C(=O)N

InChI

InChI=1S/C21H25N5O2S/c1-28-18-12-23-14-24-21(18)26-9-7-25(8-10-26)6-2-3-16-13-29-19-5-4-15(20(22)27)11-17(16)19/h4-5,11-14H,2-3,6-10H2,1H3,(H2,22,27)