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

Systemtic Name: 2-[3-azanylpropyl-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)amino]-N-[2-(1,3-benzodioxol-5-yl)ethyl]ethanamide Openeye Name: 2-[3-aminopropyl-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)amino]-N-[2-(1,3-benzodioxol-5-yl)ethyl]acetamide CAS Name: 2-[3-aminopropyl-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]amino]-N-[2-(1,3-benzodioxol-5-yl)ethyl]acetamide IUPAC Name: 2-[3-aminopropyl-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)amino]-N-[2-(1,3-benzodioxol-5-yl)ethyl]acetamide Traditional Name: 2-[3-aminopropyl-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)amino]-N-homopiperonyl-acetamide Formula: C22H27N7O3 MolecularWeight: 437.49488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N7O3/c1-16-11-20(27-22(26-16)29-10-8-24-14-29)28(9-2-6-23)13-21(30)25-7-5-17-3-4-18-19(12-17)32-15-31-18/h3-4,8,10-12,14H,2,5-7,9,13,15,23H2,1H3,(H,25,30)