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

Systemtic Name: 3-[3-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-1-benzothiophene-5-carbonitrile Openeye Name: 3-[3-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]benzothiophene-5-carbonitrile CAS Name: 3-[3-[4-(5-methoxy-4-pyrimidinyl)-1-piperazinyl]propyl]-1-benzothiophene-5-carbonitrile IUPAC Name: 3-[3-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-1-benzothiophene-5-carbonitrile Traditional Name: 3-[3-[4-(5-methoxypyrimidin-4-yl)piperazino]propyl]benzothiophene-5-carbonitrile Formula: C21H23N5OS MolecularWeight: 393.50522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5OS/c1-27-19-13-23-15-24-21(19)26-9-7-25(8-10-26)6-2-3-17-14-28-20-5-4-16(12-22)11-18(17)20/h4-5,11,13-15H,2-3,6-10H2,1H3