N'-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N,N'-di(pyrimidin-2-yl)propane-1,3-diamine

Systemtic Name: N'-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N,N'-di(pyrimidin-2-yl)propane-1,3-diamine Openeye Name: N'-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N,N'-di(pyrimidin-2-yl)propane-1,3-diamine CAS Name: N'-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N,N'-bis(2-pyrimidinyl)propane-1,3-diamine IUPAC Name: N'-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N,N'-di(pyrimidin-2-yl)propane-1,3-diamine Traditional Name: 2,3-dihydro-1,4-benzodioxin-3-ylmethyl-(2-pyrimidyl)-[3-(2-pyrimidylamino)propyl]amine Formula: C20H22N6O2 MolecularWeight: 378.42768

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)CN(CCCNC3=NC=CC=N3)C4=NC=CC=N4

Isomeric SMILES

C1C(OC2=CC=CC=C2O1)CN(CCCNC3=NC=CC=N3)C4=NC=CC=N4

InChI

InChI=1S/C20H22N6O2/c1-2-7-18-17(6-1)27-15-16(28-18)14-26(20-24-10-4-11-25-20)13-5-12-23-19-21-8-3-9-22-19/h1-4,6-11,16H,5,12-15H2,(H,21,22,23)