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

Systemtic Name: N-[6-(4-bromanylphenoxy)-5-nitro-pyrimidin-4-yl]-1,3-benzothiazol-2-amine Openeye Name: N-[6-(4-bromophenoxy)-5-nitro-pyrimidin-4-yl]-1,3-benzothiazol-2-amine CAS Name: N-[6-(4-bromophenoxy)-5-nitro-4-pyrimidinyl]-1,3-benzothiazol-2-amine IUPAC Name: N-[6-(4-bromophenoxy)-5-nitropyrimidin-4-yl]-1,3-benzothiazol-2-amine Traditional Name: 1,3-benzothiazol-2-yl-[6-(4-bromophenoxy)-5-nitro-pyrimidin-4-yl]amine Formula: C17H10BrN5O3S MolecularWeight: 444.262

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)NC3=C(C(=NC=N3)OC4=CC=C(C=C4)Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)NC3=C(C(=NC=N3)OC4=CC=C(C=C4)Br)[N+](=O)[O-]

InChI

InChI=1S/C17H10BrN5O3S/c18-10-5-7-11(8-6-10)26-16-14(23(24)25)15(19-9-20-16)22-17-21-12-3-1-2-4-13(12)27-17/h1-9H,(H,19,20,21,22)