4-(2-imidazol-1-ylpyrimidin-4-yl)-N1-propyl-N3-(1-thiophen-2-ylethyl)piperazine-1,3-dicarboxamide

Systemtic Name: 4-(2-imidazol-1-ylpyrimidin-4-yl)-N1-propyl-N3-(1-thiophen-2-ylethyl)piperazine-1,3-dicarboxamide Openeye Name: 4-(2-imidazol-1-ylpyrimidin-4-yl)-N1-propyl-N3-[1-(2-thienyl)ethyl]piperazine-1,3-dicarboxamide CAS Name: 4-[2-(1-imidazolyl)-4-pyrimidinyl]-N1-propyl-N3-(1-thiophen-2-ylethyl)piperazine-1,3-dicarboxamide IUPAC Name: 4-(2-imidazol-1-ylpyrimidin-4-yl)-1-N-propyl-3-N-(1-thiophen-2-ylethyl)piperazine-1,3-dicarboxamide Traditional Name: 4-(2-imidazol-1-ylpyrimidin-4-yl)-N-propyl-N'-[1-(2-thienyl)ethyl]piperazine-1,3-dicarboxamide Formula: C22H28N8O2S MolecularWeight: 468.57512

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)N1CCN(C(C1)C(=O)NC(C)C2=CC=CS2)C3=NC(=NC=C3)N4C=CN=C4

Isomeric SMILES

CCCNC(=O)N1CCN(C(C1)C(=O)NC(C)C2=CC=CS2)C3=NC(=NC=C3)N4C=CN=C4

InChI

InChI=1S/C22H28N8O2S/c1-3-7-25-22(32)28-11-12-30(19-6-8-24-21(27-19)29-10-9-23-15-29)17(14-28)20(31)26-16(2)18-5-4-13-33-18/h4-6,8-10,13,15-17H,3,7,11-12,14H2,1-2H3,(H,25,32)(H,26,31)