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

Systemtic Name: N'-[6-(1,3-benzothiazol-2-ylamino)-5-nitro-pyrimidin-4-yl]-2-phenyl-ethanehydrazide Openeye Name: N'-[6-(1,3-benzothiazol-2-ylamino)-5-nitro-pyrimidin-4-yl]-2-phenyl-acetohydrazide CAS Name: N'-[6-(1,3-benzothiazol-2-ylamino)-5-nitro-4-pyrimidinyl]-2-phenylacetohydrazide IUPAC Name: N'-[6-(1,3-benzothiazol-2-ylamino)-5-nitropyrimidin-4-yl]-2-phenylacetohydrazide Traditional Name: N'-[6-(1,3-benzothiazol-2-ylamino)-5-nitro-pyrimidin-4-yl]-2-phenyl-acetohydrazide Formula: C19H15N7O3S MolecularWeight: 421.4325

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)NNC2=NC=NC(=C2[N+](=O)[O-])NC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)NNC2=NC=NC(=C2[N+](=O)[O-])NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H15N7O3S/c27-15(10-12-6-2-1-3-7-12)24-25-18-16(26(28)29)17(20-11-21-18)23-19-22-13-8-4-5-9-14(13)30-19/h1-9,11H,10H2,(H,24,27)(H2,20,21,22,23,25)