6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N4-(6-methylpyridin-2-yl)pyrimidine-4,5-diamine

Systemtic Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N4-(6-methylpyridin-2-yl)pyrimidine-4,5-diamine Openeye Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N4-(6-methyl-2-pyridyl)pyrimidine-4,5-diamine CAS Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-N4-(6-methyl-2-pyridinyl)pyrimidine-4,5-diamine IUPAC Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-N-(6-methylpyridin-2-yl)pyrimidine-4,5-diamine Traditional Name: [5-amino-6-(4-piperonylpiperazino)pyrimidin-4-yl]-(6-methyl-2-pyridyl)amine Formula: C22H25N7O2 MolecularWeight: 419.4796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)NC2=NC=NC(=C2N)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=NC(=CC=C1)NC2=NC=NC(=C2N)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H25N7O2/c1-15-3-2-4-19(26-15)27-21-20(23)22(25-13-24-21)29-9-7-28(8-10-29)12-16-5-6-17-18(11-16)31-14-30-17/h2-6,11,13H,7-10,12,14,23H2,1H3,(H,24,25,26,27)