N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[(2-imidazol-1-ylpyrimidin-4-yl)amino]ethanamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[(2-imidazol-1-ylpyrimidin-4-yl)amino]ethanamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[(2-imidazol-1-ylpyrimidin-4-yl)amino]acetamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[[2-(1-imidazolyl)-4-pyrimidinyl]amino]acetamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[(2-imidazol-1-ylpyrimidin-4-yl)amino]acetamide Traditional Name: N-homopiperonyl-2-[(2-imidazol-1-ylpyrimidin-4-yl)amino]acetamide Formula: C18H18N6O3 MolecularWeight: 366.37392

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CCNC(=O)CNC3=NC(=NC=C3)N4C=CN=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CCNC(=O)CNC3=NC(=NC=C3)N4C=CN=C4

InChI

InChI=1S/C18H18N6O3/c25-17(20-5-3-13-1-2-14-15(9-13)27-12-26-14)10-22-16-4-6-21-18(23-16)24-8-7-19-11-24/h1-2,4,6-9,11H,3,5,10,12H2,(H,20,25)(H,21,22,23)