4-oxidanylidene-7-(3-oxidanylprop-1-ynyl)-N-(phenylmethyl)pyrimido[1,2-b]pyridazine-3-carboxamide

Systemtic Name: 4-oxidanylidene-7-(3-oxidanylprop-1-ynyl)-N-(phenylmethyl)pyrimido[1,2-b]pyridazine-3-carboxamide Openeye Name: N-benzyl-7-(3-hydroxyprop-1-ynyl)-4-oxo-pyrimido[1,2-b]pyridazine-3-carboxamide CAS Name: 7-(3-hydroxyprop-1-ynyl)-4-oxo-N-(phenylmethyl)-3-pyrimido[1,2-b]pyridazinecarboxamide IUPAC Name: N-benzyl-7-(3-hydroxyprop-1-ynyl)-4-oxopyrimido[1,2-b]pyridazine-3-carboxamide Traditional Name: N-benzyl-7-(3-hydroxyprop-1-ynyl)-4-keto-pyrimido[1,2-b]pyridazine-3-carboxamide Formula: C18H14N4O3 MolecularWeight: 334.32876

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C2=CN=C3C=CC(=NN3C2=O)C#CCO

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)C2=CN=C3C=CC(=NN3C2=O)C#CCO

InChI

InChI=1S/C18H14N4O3/c23-10-4-7-14-8-9-16-19-12-15(18(25)22(16)21-14)17(24)20-11-13-5-2-1-3-6-13/h1-3,5-6,8-9,12,23H,10-11H2,(H,20,24)