N-[6-(3,5-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]-1,3-benzothiazol-2-amine

Systemtic Name: N-[6-(3,5-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]-1,3-benzothiazol-2-amine Openeye Name: N-[6-(3,5-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]-1,3-benzothiazol-2-amine CAS Name: N-[6-(3,5-dimethylphenoxy)-5-nitro-4-pyrimidinyl]-1,3-benzothiazol-2-amine IUPAC Name: N-[6-(3,5-dimethylphenoxy)-5-nitropyrimidin-4-yl]-1,3-benzothiazol-2-amine Traditional Name: 1,3-benzothiazol-2-yl-[6-(3,5-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]amine Formula: C19H15N5O3S MolecularWeight: 393.4191

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C19H15N5O3S/c1-11-7-12(2)9-13(8-11)27-18-16(24(25)26)17(20-10-21-18)23-19-22-14-5-3-4-6-15(14)28-19/h3-10H,1-2H3,(H,20,21,22,23)