N-(1,3-benzodioxol-5-ylmethyl)-6-morpholin-4-yl-5-nitro-pyrimidin-4-amine

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-6-morpholin-4-yl-5-nitro-pyrimidin-4-amine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-6-morpholino-5-nitro-pyrimidin-4-amine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-6-(4-morpholinyl)-5-nitro-4-pyrimidinamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-6-morpholin-4-yl-5-nitropyrimidin-4-amine Traditional Name: (6-morpholino-5-nitro-pyrimidin-4-yl)-piperonyl-amine Formula: C16H17N5O5 MolecularWeight: 359.33668

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C(=NC=N2)NCC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C(=NC=N2)NCC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

InChI

InChI=1S/C16H17N5O5/c22-21(23)14-15(18-9-19-16(14)20-3-5-24-6-4-20)17-8-11-1-2-12-13(7-11)26-10-25-12/h1-2,7,9H,3-6,8,10H2,(H,17,18,19)