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

Systemtic Name: N-(5-nitro-6-pyrrolidin-1-yl-pyrimidin-4-yl)-1,3-benzothiazol-2-amine Openeye Name: N-(5-nitro-6-pyrrolidin-1-yl-pyrimidin-4-yl)-1,3-benzothiazol-2-amine CAS Name: N-[5-nitro-6-(1-pyrrolidinyl)-4-pyrimidinyl]-1,3-benzothiazol-2-amine IUPAC Name: N-(5-nitro-6-pyrrolidin-1-ylpyrimidin-4-yl)-1,3-benzothiazol-2-amine Traditional Name: 1,3-benzothiazol-2-yl-(5-nitro-6-pyrrolidino-pyrimidin-4-yl)amine Formula: C15H14N6O2S MolecularWeight: 342.37566

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C(=NC=N2)NC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C(=NC=N2)NC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C15H14N6O2S/c22-21(23)12-13(16-9-17-14(12)20-7-3-4-8-20)19-15-18-10-5-1-2-6-11(10)24-15/h1-2,5-6,9H,3-4,7-8H2,(H,16,17,18,19)