N-(1,3-benzodioxol-5-ylmethyl)-4-(2-imidazol-1-ylpyrimidin-4-yl)-1-(2-thiophen-2-ylethyl)piperazine-2-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(2-imidazol-1-ylpyrimidin-4-yl)-1-(2-thiophen-2-ylethyl)piperazine-2-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(2-imidazol-1-ylpyrimidin-4-yl)-1-[2-(2-thienyl)ethyl]piperazine-2-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[2-(1-imidazolyl)-4-pyrimidinyl]-1-(2-thiophen-2-ylethyl)-2-piperazinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(2-imidazol-1-ylpyrimidin-4-yl)-1-(2-thiophen-2-ylethyl)piperazine-2-carboxamide Traditional Name: 4-(2-imidazol-1-ylpyrimidin-4-yl)-N-piperonyl-1-[2-(2-thienyl)ethyl]piperazine-2-carboxamide Formula: C26H27N7O3S MolecularWeight: 517.60268

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1C2=NC(=NC=C2)N3C=CN=C3)C(=O)NCC4=CC5=C(C=C4)OCO5)CCC6=CC=CS6

Isomeric SMILES

C1CN(C(CN1C2=NC(=NC=C2)N3C=CN=C3)C(=O)NCC4=CC5=C(C=C4)OCO5)CCC6=CC=CS6

InChI

InChI=1S/C26H27N7O3S/c34-25(29-15-19-3-4-22-23(14-19)36-18-35-22)21-16-32(12-11-31(21)9-6-20-2-1-13-37-20)24-5-7-28-26(30-24)33-10-8-27-17-33/h1-5,7-8,10,13-14,17,21H,6,9,11-12,15-16,18H2,(H,29,34)