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

Systemtic Name: N'-[6-(1,3-benzothiazol-2-ylamino)-5-nitro-pyrimidin-4-yl]-4-nitro-benzohydrazide Openeye Name: N'-[6-(1,3-benzothiazol-2-ylamino)-5-nitro-pyrimidin-4-yl]-4-nitro-benzohydrazide CAS Name: N'-[6-(1,3-benzothiazol-2-ylamino)-5-nitro-4-pyrimidinyl]-4-nitrobenzohydrazide IUPAC Name: N'-[6-(1,3-benzothiazol-2-ylamino)-5-nitropyrimidin-4-yl]-4-nitrobenzohydrazide Traditional Name: N'-[6-(1,3-benzothiazol-2-ylamino)-5-nitro-pyrimidin-4-yl]-4-nitro-benzohydrazide Formula: C18H12N8O5S MolecularWeight: 452.40348

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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=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H12N8O5S/c27-17(10-5-7-11(8-6-10)25(28)29)24-23-16-14(26(30)31)15(19-9-20-16)22-18-21-12-3-1-2-4-13(12)32-18/h1-9H,(H,24,27)(H2,19,20,21,22,23)