N'-[6-(cycloheptylamino)-5-nitro-pyrimidin-4-yl]benzohydrazide

Systemtic Name: N'-[6-(cycloheptylamino)-5-nitro-pyrimidin-4-yl]benzohydrazide Openeye Name: N'-[6-(cycloheptylamino)-5-nitro-pyrimidin-4-yl]benzohydrazide CAS Name: N'-[6-(cycloheptylamino)-5-nitro-4-pyrimidinyl]benzohydrazide IUPAC Name: N'-[6-(cycloheptylamino)-5-nitropyrimidin-4-yl]benzohydrazide Traditional Name: N'-[6-(cycloheptylamino)-5-nitro-pyrimidin-4-yl]benzohydrazide Formula: C18H22N6O3 MolecularWeight: 370.40568

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC2=C(C(=NC=N2)NNC(=O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCCC(CC1)NC2=C(C(=NC=N2)NNC(=O)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H22N6O3/c25-18(13-8-4-3-5-9-13)23-22-17-15(24(26)27)16(19-12-20-17)21-14-10-6-1-2-7-11-14/h3-5,8-9,12,14H,1-2,6-7,10-11H2,(H,23,25)(H2,19,20,21,22)