(1E)-1-cyclobutyl-1-[6,6-di(pyrimidin-4-yl)-7H-indazol-3-ylidene]-N-methoxy-methanamine

Systemtic Name: (1E)-1-cyclobutyl-1-[6,6-di(pyrimidin-4-yl)-7H-indazol-3-ylidene]-N-methoxy-methanamine Openeye Name: (1E)-1-cyclobutyl-1-[6,6-di(pyrimidin-4-yl)-7H-indazol-3-ylidene]-N-methoxy-methanamine CAS Name: (1E)-1-[6,6-bis(4-pyrimidinyl)-7H-indazol-3-ylidene]-1-cyclobutyl-N-methoxymethanamine IUPAC Name: (1E)-1-cyclobutyl-1-[6,6-di(pyrimidin-4-yl)-7H-indazol-3-ylidene]-N-methoxymethanamine Traditional Name: [(E)-[6,6-bis(4-pyrimidyl)-7H-indazol-3-ylidene]-cyclobutyl-methyl]-methoxy-amine Formula: C21H21N7O MolecularWeight: 387.43774

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Descriptors Computed from Structure

Canonical SMILES:

CONC(=C1C2=C(CC(C=C2)(C3=NC=NC=C3)C4=NC=NC=C4)N=N1)C5CCC5

Isomeric SMILES

CON/C(=C/1\C2=C(CC(C=C2)(C3=NC=NC=C3)C4=NC=NC=C4)N=N1)/C5CCC5

InChI

InChI=1S/C21H21N7O/c1-29-28-19(14-3-2-4-14)20-15-5-8-21(11-16(15)26-27-20,17-6-9-22-12-24-17)18-7-10-23-13-25-18/h5-10,12-14,28H,2-4,11H2,1H3/b20-19+