N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-[(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)amino]pentanamide

Systemtic Name: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-[(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)amino]pentanamide Openeye Name: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-[(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)amino]pentanamide CAS Name: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-[[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]amino]pentanamide IUPAC Name: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-[(2-imidazol-1-yl-6-methylpyrimidin-4-yl)amino]pentanamide Traditional Name: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-[(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)amino]valeramide Formula: C23H28N6O3 MolecularWeight: 436.50682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C=CN=C2)NCCCCC(=O)NC(C)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CN=C2)NCCCCC(=O)NC(C)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C23H28N6O3/c1-16-13-21(28-23(26-16)29-10-9-24-15-29)25-8-4-3-5-22(30)27-17(2)18-6-7-19-20(14-18)32-12-11-31-19/h6-7,9-10,13-15,17H,3-5,8,11-12H2,1-2H3,(H,27,30)(H,25,26,28)