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

Systemtic Name: N-(5-nitro-6-phenoxy-pyrimidin-4-yl)-1,3-benzothiazol-2-amine Openeye Name: N-(5-nitro-6-phenoxy-pyrimidin-4-yl)-1,3-benzothiazol-2-amine CAS Name: N-(5-nitro-6-phenoxy-4-pyrimidinyl)-1,3-benzothiazol-2-amine IUPAC Name: N-(5-nitro-6-phenoxypyrimidin-4-yl)-1,3-benzothiazol-2-amine Traditional Name: 1,3-benzothiazol-2-yl-(5-nitro-6-phenoxy-pyrimidin-4-yl)amine Formula: C17H11N5O3S MolecularWeight: 365.36594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H11N5O3S/c23-22(24)14-15(21-17-20-12-8-4-5-9-13(12)26-17)18-10-19-16(14)25-11-6-2-1-3-7-11/h1-10H,(H,18,19,20,21)