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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C=CN=C2)NCCCC(=O)NCCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CN=C2)NCCCC(=O)NCCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H24N6O3/c1-15-11-19(26-21(25-15)27-10-9-22-13-27)23-7-2-3-20(28)24-8-6-16-4-5-17-18(12-16)30-14-29-17/h4-5,9-13H,2-3,6-8,14H2,1H3,(H,24,28)(H,23,25,26)