N'-[6-[2-(3,4-dimethoxyphenyl)ethylamino]-5-nitro-pyrimidin-4-yl]benzohydrazide

Systemtic Name: N'-[6-[2-(3,4-dimethoxyphenyl)ethylamino]-5-nitro-pyrimidin-4-yl]benzohydrazide Openeye Name: N'-[6-[2-(3,4-dimethoxyphenyl)ethylamino]-5-nitro-pyrimidin-4-yl]benzohydrazide CAS Name: N'-[6-[2-(3,4-dimethoxyphenyl)ethylamino]-5-nitro-4-pyrimidinyl]benzohydrazide IUPAC Name: N'-[6-[2-(3,4-dimethoxyphenyl)ethylamino]-5-nitropyrimidin-4-yl]benzohydrazide Traditional Name: N'-[6-(homoveratrylamino)-5-nitro-pyrimidin-4-yl]benzohydrazide Formula: C21H22N6O5 MolecularWeight: 438.43658

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=C(C(=NC=N2)NNC(=O)C3=CC=CC=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=C(C(=NC=N2)NNC(=O)C3=CC=CC=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C21H22N6O5/c1-31-16-9-8-14(12-17(16)32-2)10-11-22-19-18(27(29)30)20(24-13-23-19)25-26-21(28)15-6-4-3-5-7-15/h3-9,12-13H,10-11H2,1-2H3,(H,26,28)(H2,22,23,24,25)