2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(furan-2-ylmethyl)-6-methyl-pyrimidin-4-amine

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(furan-2-ylmethyl)-6-methyl-pyrimidin-4-amine Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(2-furylmethyl)-6-methyl-pyrimidin-4-amine CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-N-(2-furanylmethyl)-6-methyl-4-pyrimidinamine IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(furan-2-ylmethyl)-6-methylpyrimidin-4-amine Traditional Name: 2-furfuryl-[6-methyl-2-(4-piperonylpiperazino)pyrimidin-4-yl]amine Formula: C22H25N5O3 MolecularWeight: 407.4656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)NCC5=CC=CO5

Isomeric SMILES

CC1=CC(=NC(=N1)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)NCC5=CC=CO5

InChI

InChI=1S/C22H25N5O3/c1-16-11-21(23-13-18-3-2-10-28-18)25-22(24-16)27-8-6-26(7-9-27)14-17-4-5-19-20(12-17)30-15-29-19/h2-5,10-12H,6-9,13-15H2,1H3,(H,23,24,25)