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

Systemtic Name: 6-butyl-2-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperazin-1-yl]pyrimidin-4-amine Openeye Name: 6-butyl-2-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperazin-1-yl]pyrimidin-4-amine CAS Name: 6-butyl-2-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-piperazinyl]-4-pyrimidinamine IUPAC Name: 6-butyl-2-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperazin-1-yl]pyrimidin-4-amine Traditional Name: [6-butyl-2-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperazino]pyrimidin-4-yl]amine Formula: C21H29N5O2 MolecularWeight: 383.48726

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=NC(=N1)N2CCN(CC2)CC3COC4=CC=CC=C4O3)N

Isomeric SMILES

CCCCC1=CC(=NC(=N1)N2CCN(CC2)CC3COC4=CC=CC=C4O3)N

InChI

InChI=1S/C21H29N5O2/c1-2-3-6-16-13-20(22)24-21(23-16)26-11-9-25(10-12-26)14-17-15-27-18-7-4-5-8-19(18)28-17/h4-5,7-8,13,17H,2-3,6,9-12,14-15H2,1H3,(H2,22,23,24)