2-[[6-(1,3-benzodioxol-5-ylamino)-5-nitro-pyrimidin-4-yl]-(cyanomethyl)amino]ethanenitrile

Systemtic Name: 2-[[6-(1,3-benzodioxol-5-ylamino)-5-nitro-pyrimidin-4-yl]-(cyanomethyl)amino]ethanenitrile Openeye Name: 2-[[6-(1,3-benzodioxol-5-ylamino)-5-nitro-pyrimidin-4-yl]-(cyanomethyl)amino]acetonitrile CAS Name: 2-[[6-(1,3-benzodioxol-5-ylamino)-5-nitro-4-pyrimidinyl]-(cyanomethyl)amino]acetonitrile IUPAC Name: 2-[[6-(1,3-benzodioxol-5-ylamino)-5-nitropyrimidin-4-yl]-(cyanomethyl)amino]acetonitrile Traditional Name: 2-[[6-(1,3-benzodioxol-5-ylamino)-5-nitro-pyrimidin-4-yl]-(cyanomethyl)amino]acetonitrile Formula: C15H11N7O4 MolecularWeight: 353.29234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11N7O4/c16-3-5-21(6-4-17)15-13(22(23)24)14(18-8-19-15)20-10-1-2-11-12(7-10)26-9-25-11/h1-2,7-8H,5-6,9H2,(H,18,19,20)