4-[[4-(6-methoxypyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-yl]amino]benzenecarbonitrile

Systemtic Name: 4-[[4-(6-methoxypyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[4-(6-methoxypyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-yl]amino]benzonitrile CAS Name: 4-[[4-(6-methoxy-3-pyrazolo[1,5-b]pyridazinyl)-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 4-[[4-(6-methoxypyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-yl]amino]benzonitrile Traditional Name: 4-[[4-(6-methoxypyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-yl]amino]benzonitrile Formula: C18H13N7O MolecularWeight: 343.34212

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NN2C(=C(C=N2)C3=NC(=NC=C3)NC4=CC=C(C=C4)C#N)C=C1

Isomeric SMILES

COC1=NN2C(=C(C=N2)C3=NC(=NC=C3)NC4=CC=C(C=C4)C#N)C=C1

InChI

InChI=1S/C18H13N7O/c1-26-17-7-6-16-14(11-21-25(16)24-17)15-8-9-20-18(23-15)22-13-4-2-12(10-19)3-5-13/h2-9,11H,1H3,(H,20,22,23)