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

Systemtic Name: N-[6-(3,5-dimethylpyrazol-1-yl)-5-nitro-pyrimidin-4-yl]-6-methyl-1,3-benzothiazol-2-amine Openeye Name: N-[6-(3,5-dimethylpyrazol-1-yl)-5-nitro-pyrimidin-4-yl]-6-methyl-1,3-benzothiazol-2-amine CAS Name: N-[6-(3,5-dimethyl-1-pyrazolyl)-5-nitro-4-pyrimidinyl]-6-methyl-1,3-benzothiazol-2-amine IUPAC Name: N-[6-(3,5-dimethylpyrazol-1-yl)-5-nitropyrimidin-4-yl]-6-methyl-1,3-benzothiazol-2-amine Traditional Name: [6-(3,5-dimethylpyrazol-1-yl)-5-nitro-pyrimidin-4-yl]-(6-methyl-1,3-benzothiazol-2-yl)amine Formula: C17H15N7O2S MolecularWeight: 381.4117

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC3=NC=NC(=C3[N+](=O)[O-])N4C(=CC(=N4)C)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC3=NC=NC(=C3[N+](=O)[O-])N4C(=CC(=N4)C)C

InChI

InChI=1S/C17H15N7O2S/c1-9-4-5-12-13(6-9)27-17(20-12)21-15-14(24(25)26)16(19-8-18-15)23-11(3)7-10(2)22-23/h4-8H,1-3H3,(H,18,19,20,21)