2,6-dimorpholin-4-yl-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]pyrimidin-4-amine

Systemtic Name: 2,6-dimorpholin-4-yl-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]pyrimidin-4-amine Openeye Name: 2,6-dimorpholino-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]pyrimidin-4-amine CAS Name: 2,6-bis(4-morpholinyl)-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-4-pyrimidinamine IUPAC Name: 2,6-dimorpholin-4-yl-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]pyrimidin-4-amine Traditional Name: (2,6-dimorpholinopyrimidin-4-yl)-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]amine Formula: C20H23N7O6 MolecularWeight: 457.43992

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC(=NC(=N2)N3CCOCC3)NN=CC4=CC5=C(C=C4[N+](=O)[O-])OCO5

Isomeric SMILES

C1COCCN1C2=CC(=NC(=N2)N3CCOCC3)N/N=C/C4=CC5=C(C=C4[N+](=O)[O-])OCO5

InChI

InChI=1S/C20H23N7O6/c28-27(29)15-10-17-16(32-13-33-17)9-14(15)12-21-24-18-11-19(25-1-5-30-6-2-25)23-20(22-18)26-3-7-31-8-4-26/h9-12H,1-8,13H2,(H,22,23,24)/b21-12+