N-[(4-chlorophenyl)methyl]-4-oxidanylidene-7-(3-oxidanylpropyl)pyrimido[1,2-b]pyridazine-3-carboxamide

Systemtic Name: N-[(4-chlorophenyl)methyl]-4-oxidanylidene-7-(3-oxidanylpropyl)pyrimido[1,2-b]pyridazine-3-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-7-(3-hydroxypropyl)-4-oxo-pyrimido[1,2-b]pyridazine-3-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-7-(3-hydroxypropyl)-4-oxo-3-pyrimido[1,2-b]pyridazinecarboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-7-(3-hydroxypropyl)-4-oxopyrimido[1,2-b]pyridazine-3-carboxamide Traditional Name: N-(4-chlorobenzyl)-7-(3-hydroxypropyl)-4-keto-pyrimido[1,2-b]pyridazine-3-carboxamide Formula: C18H17ClN4O3 MolecularWeight: 372.80558

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)C2=CN=C3C=CC(=NN3C2=O)CCCO)Cl

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)C2=CN=C3C=CC(=NN3C2=O)CCCO)Cl

InChI

InChI=1S/C18H17ClN4O3/c19-13-5-3-12(4-6-13)10-21-17(25)15-11-20-16-8-7-14(2-1-9-24)22-23(16)18(15)26/h3-8,11,24H,1-2,9-10H2,(H,21,25)