N'-[6-[2-(cyclohexen-1-yl)ethylamino]-5-nitro-pyrimidin-4-yl]-4-methyl-benzohydrazide

Systemtic Name: N'-[6-[2-(cyclohexen-1-yl)ethylamino]-5-nitro-pyrimidin-4-yl]-4-methyl-benzohydrazide Openeye Name: N'-[6-[2-(cyclohexen-1-yl)ethylamino]-5-nitro-pyrimidin-4-yl]-4-methyl-benzohydrazide CAS Name: N'-[6-[2-(1-cyclohexenyl)ethylamino]-5-nitro-4-pyrimidinyl]-4-methylbenzohydrazide IUPAC Name: N'-[6-[2-(cyclohexen-1-yl)ethylamino]-5-nitropyrimidin-4-yl]-4-methylbenzohydrazide Traditional Name: N'-[6-[2-(cyclohexen-1-yl)ethylamino]-5-nitro-pyrimidin-4-yl]-4-methyl-benzohydrazide Formula: C20H24N6O3 MolecularWeight: 396.44296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NNC2=NC=NC(=C2[N+](=O)[O-])NCCC3=CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NNC2=NC=NC(=C2[N+](=O)[O-])NCCC3=CCCCC3

InChI

InChI=1S/C20H24N6O3/c1-14-7-9-16(10-8-14)20(27)25-24-19-17(26(28)29)18(22-13-23-19)21-12-11-15-5-3-2-4-6-15/h5,7-10,13H,2-4,6,11-12H2,1H3,(H,25,27)(H2,21,22,23,24)