4-[[[6-(2,6-dimethylmorpholin-4-yl)-5-nitro-pyrimidin-4-yl]amino]methyl]benzene-1,2-diol

Systemtic Name: 4-[[[6-(2,6-dimethylmorpholin-4-yl)-5-nitro-pyrimidin-4-yl]amino]methyl]benzene-1,2-diol Openeye Name: 4-[[[6-(2,6-dimethylmorpholin-4-yl)-5-nitro-pyrimidin-4-yl]amino]methyl]benzene-1,2-diol CAS Name: 4-[[[6-(2,6-dimethyl-4-morpholinyl)-5-nitro-4-pyrimidinyl]amino]methyl]benzene-1,2-diol IUPAC Name: 4-[[[6-(2,6-dimethylmorpholin-4-yl)-5-nitropyrimidin-4-yl]amino]methyl]benzene-1,2-diol Traditional Name: 4-[[[6-(2,6-dimethylmorpholino)-5-nitro-pyrimidin-4-yl]amino]methyl]pyrocatechol Formula: C17H21N5O5 MolecularWeight: 375.37914

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)C2=C(C(=NC=N2)NCC3=CC(=C(C=C3)O)O)[N+](=O)[O-]

Isomeric SMILES

CC1CN(CC(O1)C)C2=C(C(=NC=N2)NCC3=CC(=C(C=C3)O)O)[N+](=O)[O-]

InChI

InChI=1S/C17H21N5O5/c1-10-7-21(8-11(2)27-10)17-15(22(25)26)16(19-9-20-17)18-6-12-3-4-13(23)14(24)5-12/h3-5,9-11,23-24H,6-8H2,1-2H3,(H,18,19,20)