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

Systemtic Name: N-[6-(3,5-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]-4,5-dimethyl-1,3-thiazol-2-amine Openeye Name: N-[6-(3,5-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]-4,5-dimethyl-thiazol-2-amine CAS Name: N-[6-(3,5-dimethylphenoxy)-5-nitro-4-pyrimidinyl]-4,5-dimethyl-2-thiazolamine IUPAC Name: N-[6-(3,5-dimethylphenoxy)-5-nitropyrimidin-4-yl]-4,5-dimethyl-1,3-thiazol-2-amine Traditional Name: [6-(3,5-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]-(4,5-dimethylthiazol-2-yl)amine Formula: C17H17N5O3S MolecularWeight: 371.41358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=NC(=C(S3)C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=NC(=C(S3)C)C)C

InChI

InChI=1S/C17H17N5O3S/c1-9-5-10(2)7-13(6-9)25-16-14(22(23)24)15(18-8-19-16)21-17-20-11(3)12(4)26-17/h5-8H,1-4H3,(H,18,19,20,21)