N'-[6-(1,3-benzothiazol-2-ylamino)-5-nitro-pyrimidin-4-yl]pyridine-4-carbohydrazide

Systemtic Name: N'-[6-(1,3-benzothiazol-2-ylamino)-5-nitro-pyrimidin-4-yl]pyridine-4-carbohydrazide Openeye Name: N'-[6-(1,3-benzothiazol-2-ylamino)-5-nitro-pyrimidin-4-yl]pyridine-4-carbohydrazide CAS Name: N'-[6-(1,3-benzothiazol-2-ylamino)-5-nitro-4-pyrimidinyl]-4-pyridinecarbohydrazide IUPAC Name: N'-[6-(1,3-benzothiazol-2-ylamino)-5-nitropyrimidin-4-yl]pyridine-4-carbohydrazide Traditional Name: N'-[6-(1,3-benzothiazol-2-ylamino)-5-nitro-pyrimidin-4-yl]isonicotinohydrazide Formula: C17H12N8O3S MolecularWeight: 408.39398

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)NC3=C(C(=NC=N3)NNC(=O)C4=CC=NC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)NC3=C(C(=NC=N3)NNC(=O)C4=CC=NC=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H12N8O3S/c26-16(10-5-7-18-8-6-10)24-23-15-13(25(27)28)14(19-9-20-15)22-17-21-11-3-1-2-4-12(11)29-17/h1-9H,(H,24,26)(H2,19,20,21,22,23)