N-(1,3-benzodioxol-5-ylmethyl)-2-[(6-imidazol-1-ylpyrimidin-4-yl)amino]pentanediamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(6-imidazol-1-ylpyrimidin-4-yl)amino]pentanediamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(6-imidazol-1-ylpyrimidin-4-yl)amino]pentanediamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[6-(1-imidazolyl)-4-pyrimidinyl]amino]pentanediamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(6-imidazol-1-ylpyrimidin-4-yl)amino]pentanediamide Traditional Name: 2-[(6-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(26-18-8-19(25-10-24-18)27-6-5-22-11-27)20(29)23-9-13-1-3-15-16(7-13)31-12-30-15/h1,3,5-8,10-11,14H,2,4,9,12H2,(H2,21,28)(H,23,29)(H,24,25,26)