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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)amino]pentanediamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)amino]pentanediamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]amino]pentanediamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)amino]pentanediamide Traditional Name: 2-[(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)amino]-N-piperonyl-glutaramide Formula: C20H20ClN7O4 MolecularWeight: 457.8703

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)C(CCC(=O)N)NC3=CC(=NC(=N3)N4C=CN=C4)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)C(CCC(=O)N)NC3=CC(=NC(=N3)N4C=CN=C4)Cl

InChI

InChI=1S/C20H20ClN7O4/c21-16-8-18(27-20(26-16)28-6-5-23-10-28)25-13(2-4-17(22)29)19(30)24-9-12-1-3-14-15(7-12)32-11-31-14/h1,3,5-8,10,13H,2,4,9,11H2,(H2,22,29)(H,24,30)(H,25,26,27)