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

Systemtic Name: 7-(oxan-4-ylmethyl)-4-oxidanylidene-N-(phenylmethyl)pyrimido[1,2-b]pyridazine-3-carboxamide Openeye Name: N-benzyl-4-oxo-7-(tetrahydropyran-4-ylmethyl)pyrimido[1,2-b]pyridazine-3-carboxamide CAS Name: 7-(4-oxanylmethyl)-4-oxo-N-(phenylmethyl)-3-pyrimido[1,2-b]pyridazinecarboxamide IUPAC Name: N-benzyl-7-(oxan-4-ylmethyl)-4-oxopyrimido[1,2-b]pyridazine-3-carboxamide Traditional Name: N-benzyl-4-keto-7-(tetrahydropyran-4-ylmethyl)pyrimido[1,2-b]pyridazine-3-carboxamide Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1CC2=NN3C(=NC=C(C3=O)C(=O)NCC4=CC=CC=C4)C=C2

Isomeric SMILES

C1COCCC1CC2=NN3C(=NC=C(C3=O)C(=O)NCC4=CC=CC=C4)C=C2

InChI

InChI=1S/C21H22N4O3/c26-20(23-13-16-4-2-1-3-5-16)18-14-22-19-7-6-17(24-25(19)21(18)27)12-15-8-10-28-11-9-15/h1-7,14-15H,8-13H2,(H,23,26)