N'-[5-nitro-6-(2-thiophen-2-ylethylamino)pyrimidin-4-yl]naphthalene-1-carbohydrazide

Systemtic Name: N'-[5-nitro-6-(2-thiophen-2-ylethylamino)pyrimidin-4-yl]naphthalene-1-carbohydrazide Openeye Name: N'-[5-nitro-6-[2-(2-thienyl)ethylamino]pyrimidin-4-yl]naphthalene-1-carbohydrazide CAS Name: N'-[5-nitro-6-(2-thiophen-2-ylethylamino)-4-pyrimidinyl]-1-naphthalenecarbohydrazide IUPAC Name: N'-[5-nitro-6-(2-thiophen-2-ylethylamino)pyrimidin-4-yl]naphthalene-1-carbohydrazide Traditional Name: N'-[5-nitro-6-[2-(2-thienyl)ethylamino]pyrimidin-4-yl]naphthalene-1-carbohydrazide Formula: C21H18N6O3S MolecularWeight: 434.47102

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2C(=O)NNC3=NC=NC(=C3[N+](=O)[O-])NCCC4=CC=CS4

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2C(=O)NNC3=NC=NC(=C3[N+](=O)[O-])NCCC4=CC=CS4

InChI

InChI=1S/C21H18N6O3S/c28-21(17-9-3-6-14-5-1-2-8-16(14)17)26-25-20-18(27(29)30)19(23-13-24-20)22-11-10-15-7-4-12-31-15/h1-9,12-13H,10-11H2,(H,26,28)(H2,22,23,24,25)