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

Systemtic Name: N6-(1,3-benzodioxol-5-yl)-5-nitro-N4-(phenylmethyl)-N4-pyridin-2-yl-pyrimidine-4,6-diamine Openeye Name: N6-(1,3-benzodioxol-5-yl)-N4-benzyl-5-nitro-N4-(2-pyridyl)pyrimidine-4,6-diamine CAS Name: N6-(1,3-benzodioxol-5-yl)-5-nitro-N4-(phenylmethyl)-N4-(2-pyridinyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-(1,3-benzodioxol-5-yl)-4-N-benzyl-5-nitro-4-N-pyridin-2-ylpyrimidine-4,6-diamine Traditional Name: [6-(1,3-benzodioxol-5-ylamino)-5-nitro-pyrimidin-4-yl]-benzyl-(2-pyridyl)amine Formula: C23H18N6O4 MolecularWeight: 442.42682

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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+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC3=C(C(=NC=N3)N(CC4=CC=CC=C4)C5=CC=CC=N5)[N+](=O)[O-]

InChI

InChI=1S/C23H18N6O4/c30-29(31)21-22(27-17-9-10-18-19(12-17)33-15-32-18)25-14-26-23(21)28(20-8-4-5-11-24-20)13-16-6-2-1-3-7-16/h1-12,14H,13,15H2,(H,25,26,27)