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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-6-[(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)amino]hexanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-6-[(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)amino]hexanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-6-[[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]amino]hexanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-6-[(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)amino]hexanamide Traditional Name: 6-[(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)amino]-N-piperonyl-hexanamide Formula: C21H23ClN6O3 MolecularWeight: 442.89872

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)CCCCCNC3=CC(=NC(=N3)N4C=CN=C4)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)CCCCCNC3=CC(=NC(=N3)N4C=CN=C4)Cl

InChI

InChI=1S/C21H23ClN6O3/c22-18-11-19(27-21(26-18)28-9-8-23-13-28)24-7-3-1-2-4-20(29)25-12-15-5-6-16-17(10-15)31-14-30-16/h5-6,8-11,13H,1-4,7,12,14H2,(H,25,29)(H,24,26,27)