N6-(1,3-benzodioxol-5-ylmethyl)-N4-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine

Systemtic Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine Openeye Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(3-pyridylmethyl)pyrimidine-4,5,6-triamine CAS Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-(3-pyridinylmethyl)pyrimidine-4,5,6-triamine IUPAC Name: 6-N-(1,3-benzodioxol-5-ylmethyl)-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(piperonylamino)pyrimidin-4-yl]-(3-pyridylmethyl)amine Formula: C18H18N6O2 MolecularWeight: 350.37452

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=C(C(=NC=N3)NCC4=CN=CC=C4)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=C(C(=NC=N3)NCC4=CN=CC=C4)N

InChI

InChI=1S/C18H18N6O2/c19-16-17(21-8-12-3-4-14-15(6-12)26-11-25-14)23-10-24-18(16)22-9-13-2-1-5-20-7-13/h1-7,10H,8-9,11,19H2,(H2,21,22,23,24)