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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)amino]pentanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)amino]pentanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]amino]pentanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[(2-imidazol-1-yl-6-methylpyrimidin-4-yl)amino]pentanamide Traditional Name: 5-[(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)amino]-N-piperonyl-valeramide Formula: C21H24N6O3 MolecularWeight: 408.45366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C=CN=C2)NCCCCC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CN=C2)NCCCCC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H24N6O3/c1-15-10-19(26-21(25-15)27-9-8-22-13-27)23-7-3-2-4-20(28)24-12-16-5-6-17-18(11-16)30-14-29-17/h5-6,8-11,13H,2-4,7,12,14H2,1H3,(H,24,28)(H,23,25,26)