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

Systemtic Name: N-[6-(3,5-dimethylpyrazol-1-yl)-5-nitro-pyrimidin-4-yl]-6-methoxy-1,3-benzothiazol-2-amine Openeye Name: N-[6-(3,5-dimethylpyrazol-1-yl)-5-nitro-pyrimidin-4-yl]-6-methoxy-1,3-benzothiazol-2-amine CAS Name: N-[6-(3,5-dimethyl-1-pyrazolyl)-5-nitro-4-pyrimidinyl]-6-methoxy-1,3-benzothiazol-2-amine IUPAC Name: N-[6-(3,5-dimethylpyrazol-1-yl)-5-nitropyrimidin-4-yl]-6-methoxy-1,3-benzothiazol-2-amine Traditional Name: [6-(3,5-dimethylpyrazol-1-yl)-5-nitro-pyrimidin-4-yl]-(6-methoxy-1,3-benzothiazol-2-yl)amine Formula: C17H15N7O3S MolecularWeight: 397.4111

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=C(C(=NC=N2)NC3=NC4=C(S3)C=C(C=C4)OC)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1C2=C(C(=NC=N2)NC3=NC4=C(S3)C=C(C=C4)OC)[N+](=O)[O-])C

InChI

InChI=1S/C17H15N7O3S/c1-9-6-10(2)23(22-9)16-14(24(25)26)15(18-8-19-16)21-17-20-12-5-4-11(27-3)7-13(12)28-17/h4-8H,1-3H3,(H,18,19,20,21)