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

Systemtic Name: N-[6-(3,5-dimethylpyrazol-1-yl)-5-nitro-pyrimidin-4-yl]-1,3-benzothiazol-2-amine Openeye Name: N-[6-(3,5-dimethylpyrazol-1-yl)-5-nitro-pyrimidin-4-yl]-1,3-benzothiazol-2-amine CAS Name: N-[6-(3,5-dimethyl-1-pyrazolyl)-5-nitro-4-pyrimidinyl]-1,3-benzothiazol-2-amine IUPAC Name: N-[6-(3,5-dimethylpyrazol-1-yl)-5-nitropyrimidin-4-yl]-1,3-benzothiazol-2-amine Traditional Name: 1,3-benzothiazol-2-yl-[6-(3,5-dimethylpyrazol-1-yl)-5-nitro-pyrimidin-4-yl]amine Formula: C16H13N7O2S MolecularWeight: 367.38512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=C(C(=NC=N2)NC3=NC4=CC=CC=C4S3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1C2=C(C(=NC=N2)NC3=NC4=CC=CC=C4S3)[N+](=O)[O-])C

InChI

InChI=1S/C16H13N7O2S/c1-9-7-10(2)22(21-9)15-13(23(24)25)14(17-8-18-15)20-16-19-11-5-3-4-6-12(11)26-16/h3-8H,1-2H3,(H,17,18,19,20)