N'-[5-nitro-6-[(phenylmethyl)-pyridin-2-yl-amino]pyrimidin-4-yl]naphthalene-1-carbohydrazide

Systemtic Name: N'-[5-nitro-6-[(phenylmethyl)-pyridin-2-yl-amino]pyrimidin-4-yl]naphthalene-1-carbohydrazide Openeye Name: N'-[6-[benzyl(2-pyridyl)amino]-5-nitro-pyrimidin-4-yl]naphthalene-1-carbohydrazide CAS Name: N'-[5-nitro-6-[(phenylmethyl)-(2-pyridinyl)amino]-4-pyrimidinyl]-1-naphthalenecarbohydrazide IUPAC Name: N'-[6-[benzyl(pyridin-2-yl)amino]-5-nitropyrimidin-4-yl]naphthalene-1-carbohydrazide Traditional Name: N'-[6-[benzyl(2-pyridyl)amino]-5-nitro-pyrimidin-4-yl]naphthalene-1-carbohydrazide Formula: C27H21N7O3 MolecularWeight: 491.50074

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(C2=CC=CC=N2)C3=NC=NC(=C3[N+](=O)[O-])NNC(=O)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1=CC=C(C=C1)CN(C2=CC=CC=N2)C3=NC=NC(=C3[N+](=O)[O-])NNC(=O)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C27H21N7O3/c35-27(22-14-8-12-20-11-4-5-13-21(20)22)32-31-25-24(34(36)37)26(30-18-29-25)33(23-15-6-7-16-28-23)17-19-9-2-1-3-10-19/h1-16,18H,17H2,(H,32,35)(H,29,30,31)