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

Systemtic Name: 5-butyl-2-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperazin-1-yl]-6-methyl-pyrimidin-4-amine Openeye Name: 5-butyl-2-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperazin-1-yl]-6-methyl-pyrimidin-4-amine CAS Name: 5-butyl-2-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-piperazinyl]-6-methyl-4-pyrimidinamine IUPAC Name: 5-butyl-2-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperazin-1-yl]-6-methylpyrimidin-4-amine Traditional Name: [5-butyl-2-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperazino]-6-methyl-pyrimidin-4-yl]amine Formula: C22H31N5O2 MolecularWeight: 397.51384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N5O2/c1-3-4-7-18-16(2)24-22(25-21(18)23)27-12-10-26(11-13-27)14-17-15-28-19-8-5-6-9-20(19)29-17/h5-6,8-9,17H,3-4,7,10-15H2,1-2H3,(H2,23,24,25)