N6-(1,3-benzodioxol-5-yl)-N4-(phenylmethyl)-N4-pyridin-2-yl-pyrimidine-4,5,6-triamine

Systemtic Name: N6-(1,3-benzodioxol-5-yl)-N4-(phenylmethyl)-N4-pyridin-2-yl-pyrimidine-4,5,6-triamine Openeye Name: N6-(1,3-benzodioxol-5-yl)-N4-benzyl-N4-(2-pyridyl)pyrimidine-4,5,6-triamine CAS Name: N6-(1,3-benzodioxol-5-yl)-N4-(phenylmethyl)-N4-(2-pyridinyl)pyrimidine-4,5,6-triamine IUPAC Name: 6-N-(1,3-benzodioxol-5-yl)-4-N-benzyl-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(1,3-benzodioxol-5-ylamino)pyrimidin-4-yl]-benzyl-(2-pyridyl)amine Formula: C23H20N6O2 MolecularWeight: 412.4439

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC3=C(C(=NC=N3)N(CC4=CC=CC=C4)C5=CC=CC=N5)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC3=C(C(=NC=N3)N(CC4=CC=CC=C4)C5=CC=CC=N5)N

InChI

InChI=1S/C23H20N6O2/c24-21-22(28-17-9-10-18-19(12-17)31-15-30-18)26-14-27-23(21)29(20-8-4-5-11-25-20)13-16-6-2-1-3-7-16/h1-12,14H,13,15,24H2,(H,26,27,28)