2-[4-[1-(1-benzothiophen-2-yl)-2-oxidanyl-ethyl]piperazin-1-yl]-N-(oxan-2-yloxy)pyrimidine-5-carboxamide

Systemtic Name: 2-[4-[1-(1-benzothiophen-2-yl)-2-oxidanyl-ethyl]piperazin-1-yl]-N-(oxan-2-yloxy)pyrimidine-5-carboxamide Openeye Name: 2-[4-[1-(benzothiophen-2-yl)-2-hydroxy-ethyl]piperazin-1-yl]-N-tetrahydropyran-2-yloxy-pyrimidine-5-carboxamide CAS Name: 2-[4-[1-(1-benzothiophen-2-yl)-2-hydroxyethyl]-1-piperazinyl]-N-(2-oxanyloxy)-5-pyrimidinecarboxamide IUPAC Name: 2-[4-[1-(1-benzothiophen-2-yl)-2-hydroxyethyl]piperazin-1-yl]-N-(oxan-2-yloxy)pyrimidine-5-carboxamide Traditional Name: 2-[4-[1-(benzothiophen-2-yl)-2-hydroxy-ethyl]piperazino]-N-tetrahydropyran-2-yloxy-pyrimidine-5-carboxamide Formula: C24H29N5O4S MolecularWeight: 483.58316

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)ONC(=O)C2=CN=C(N=C2)N3CCN(CC3)C(CO)C4=CC5=CC=CC=C5S4

Isomeric SMILES

C1CCOC(C1)ONC(=O)C2=CN=C(N=C2)N3CCN(CC3)C(CO)C4=CC5=CC=CC=C5S4

InChI

InChI=1S/C24H29N5O4S/c30-16-19(21-13-17-5-1-2-6-20(17)34-21)28-8-10-29(11-9-28)24-25-14-18(15-26-24)23(31)27-33-22-7-3-4-12-32-22/h1-2,5-6,13-15,19,22,30H,3-4,7-12,16H2,(H,27,31)