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

Systemtic Name: N'-[6-[2-(3,4-dimethoxyphenyl)ethylamino]-5-nitro-pyrimidin-4-yl]-4-methyl-benzenesulfonohydrazide Openeye Name: N'-[6-[2-(3,4-dimethoxyphenyl)ethylamino]-5-nitro-pyrimidin-4-yl]-4-methyl-benzenesulfonohydrazide CAS Name: N'-[6-[2-(3,4-dimethoxyphenyl)ethylamino]-5-nitro-4-pyrimidinyl]-4-methylbenzenesulfonohydrazide IUPAC Name: N'-[6-[2-(3,4-dimethoxyphenyl)ethylamino]-5-nitropyrimidin-4-yl]-4-methylbenzenesulfonohydrazide Traditional Name: N'-[6-(homoveratrylamino)-5-nitro-pyrimidin-4-yl]-4-methyl-benzenesulfonohydrazide Formula: C21H24N6O6S MolecularWeight: 488.51686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NNC2=NC=NC(=C2[N+](=O)[O-])NCCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NNC2=NC=NC(=C2[N+](=O)[O-])NCCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H24N6O6S/c1-14-4-7-16(8-5-14)34(30,31)26-25-21-19(27(28)29)20(23-13-24-21)22-11-10-15-6-9-17(32-2)18(12-15)33-3/h4-9,12-13,26H,10-11H2,1-3H3,(H2,22,23,24,25)