5-(4-phenoxyphenyl)-3-(pyrimidin-2-ylamino)-1H-pyrazolo[4,3-c]pyridazin-6-one

Systemtic Name: 5-(4-phenoxyphenyl)-3-(pyrimidin-2-ylamino)-1H-pyrazolo[4,3-c]pyridazin-6-one Openeye Name: 5-(4-phenoxyphenyl)-3-(pyrimidin-2-ylamino)-1H-pyrazolo[4,3-c]pyridazin-6-one CAS Name: 5-(4-phenoxyphenyl)-3-(2-pyrimidinylamino)-1H-pyrazolo[4,3-c]pyridazin-6-one IUPAC Name: 5-(4-phenoxyphenyl)-3-(pyrimidin-2-ylamino)-1H-pyrazolo[4,3-c]pyridazin-6-one Traditional Name: 5-(4-phenoxyphenyl)-3-(2-pyrimidylamino)-1H-pyrazolo[4,3-c]pyridazin-6-one Formula: C21H15N7O2 MolecularWeight: 397.3895

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)N3C(=O)C=C4C(=N3)C(=NN4)NC5=NC=CC=N5

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)N3C(=O)C=C4C(=N3)C(=NN4)NC5=NC=CC=N5

InChI

InChI=1S/C21H15N7O2/c29-18-13-17-19(20(26-25-17)24-21-22-11-4-12-23-21)27-28(18)14-7-9-16(10-8-14)30-15-5-2-1-3-6-15/h1-13,25H,(H,22,23,24,26)