N'-[6-[bis(phenylmethyl)amino]-5-nitro-pyrimidin-4-yl]-4-chloranyl-benzohydrazide

Systemtic Name: N'-[6-[bis(phenylmethyl)amino]-5-nitro-pyrimidin-4-yl]-4-chloranyl-benzohydrazide Openeye Name: 4-chloro-N'-[6-(dibenzylamino)-5-nitro-pyrimidin-4-yl]benzohydrazide CAS Name: N'-[6-[bis(phenylmethyl)amino]-5-nitro-4-pyrimidinyl]-4-chlorobenzohydrazide IUPAC Name: 4-chloro-N'-[6-(dibenzylamino)-5-nitropyrimidin-4-yl]benzohydrazide Traditional Name: 4-chloro-N'-[6-(dibenzylamino)-5-nitro-pyrimidin-4-yl]benzohydrazide Formula: C25H21ClN6O3 MolecularWeight: 488.92564

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C3=NC=NC(=C3[N+](=O)[O-])NNC(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C3=NC=NC(=C3[N+](=O)[O-])NNC(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H21ClN6O3/c26-21-13-11-20(12-14-21)25(33)30-29-23-22(32(34)35)24(28-17-27-23)31(15-18-7-3-1-4-8-18)16-19-9-5-2-6-10-19/h1-14,17H,15-16H2,(H,30,33)(H,27,28,29)