5,6-dibutyl-2-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperazin-1-yl]pyrimidin-4-amine

Systemtic Name: 5,6-dibutyl-2-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperazin-1-yl]pyrimidin-4-amine Openeye Name: 5,6-dibutyl-2-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperazin-1-yl]pyrimidin-4-amine CAS Name: 5,6-dibutyl-2-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-piperazinyl]-4-pyrimidinamine IUPAC Name: 5,6-dibutyl-2-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperazin-1-yl]pyrimidin-4-amine Traditional Name: [5,6-dibutyl-2-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperazino]pyrimidin-4-yl]amine Formula: C25H37N5O2 MolecularWeight: 439.59358

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N=C(N=C1N)N2CCN(CC2)CC3COC4=CC=CC=C4O3)CCCC

Isomeric SMILES

CCCCC1=C(N=C(N=C1N)N2CCN(CC2)CC3COC4=CC=CC=C4O3)CCCC

InChI

InChI=1S/C25H37N5O2/c1-3-5-9-20-21(10-6-4-2)27-25(28-24(20)26)30-15-13-29(14-16-30)17-19-18-31-22-11-7-8-12-23(22)32-19/h7-8,11-12,19H,3-6,9-10,13-18H2,1-2H3,(H2,26,27,28)