[2-[[2-(1,3-benzodioxol-5-ylamino)-5-nitro-pyrimidin-4-yl]amino]phenyl]-phenyl-methanone

Systemtic Name: [2-[[2-(1,3-benzodioxol-5-ylamino)-5-nitro-pyrimidin-4-yl]amino]phenyl]-phenyl-methanone Openeye Name: [2-[[2-(1,3-benzodioxol-5-ylamino)-5-nitro-pyrimidin-4-yl]amino]phenyl]-phenyl-methanone CAS Name: [2-[[2-(1,3-benzodioxol-5-ylamino)-5-nitro-4-pyrimidinyl]amino]phenyl]-phenylmethanone IUPAC Name: [2-[[2-(1,3-benzodioxol-5-ylamino)-5-nitropyrimidin-4-yl]amino]phenyl]-phenylmethanone Traditional Name: [2-[[2-(1,3-benzodioxol-5-ylamino)-5-nitro-pyrimidin-4-yl]amino]phenyl]-phenyl-methanone Formula: C24H17N5O5 MolecularWeight: 455.42228

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=CC=C4C(=O)C5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=CC=C4C(=O)C5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C24H17N5O5/c30-22(15-6-2-1-3-7-15)17-8-4-5-9-18(17)27-23-19(29(31)32)13-25-24(28-23)26-16-10-11-20-21(12-16)34-14-33-20/h1-13H,14H2,(H2,25,26,27,28)