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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-imidazol-1-ylpyrimidin-4-yl)amino]pentanediamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-imidazol-1-ylpyrimidin-4-yl)amino]pentanediamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(1-imidazolyl)-4-pyrimidinyl]amino]pentanediamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-imidazol-1-ylpyrimidin-4-yl)amino]pentanediamide Traditional Name: 2-[(2-imidazol-1-ylpyrimidin-4-yl)amino]-N-piperonyl-glutaramide Formula: C20H21N7O4 MolecularWeight: 423.42524

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)C(CCC(=O)N)NC3=NC(=NC=C3)N4C=CN=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)C(CCC(=O)N)NC3=NC(=NC=C3)N4C=CN=C4

InChI

InChI=1S/C20H21N7O4/c21-17(28)4-2-14(25-18-5-6-23-20(26-18)27-8-7-22-11-27)19(29)24-10-13-1-3-15-16(9-13)31-12-30-15/h1,3,5-9,11,14H,2,4,10,12H2,(H2,21,28)(H,24,29)(H,23,25,26)