1-(1,3-benzodioxol-5-yl)-N,N'-di(pyrimidin-2-yl)methanediamine

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-N,N'-di(pyrimidin-2-yl)methanediamine Openeye Name: 1-(1,3-benzodioxol-5-yl)-N,N'-di(pyrimidin-2-yl)methanediamine CAS Name: 1-(1,3-benzodioxol-5-yl)-N,N'-bis(2-pyrimidinyl)methanediamine IUPAC Name: 1-(1,3-benzodioxol-5-yl)-N,N'-di(pyrimidin-2-yl)methanediamine Traditional Name: [1,3-benzodioxol-5-yl-(2-pyrimidylamino)methyl]-(2-pyrimidyl)amine Formula: C16H14N6O2 MolecularWeight: 322.32136

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(NC3=NC=CC=N3)NC4=NC=CC=N4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(NC3=NC=CC=N3)NC4=NC=CC=N4

InChI

InChI=1S/C16H14N6O2/c1-5-17-15(18-6-1)21-14(22-16-19-7-2-8-20-16)11-3-4-12-13(9-11)24-10-23-12/h1-9,14H,10H2,(H,17,18,21)(H,19,20,22)