3-[2-(butylamino)pyrimidin-4-yl]-6-oxidanylidene-N-(3-pyridin-3-ylpropyl)-1H-pyridazine-5-carboxamide

Systemtic Name: 3-[2-(butylamino)pyrimidin-4-yl]-6-oxidanylidene-N-(3-pyridin-3-ylpropyl)-1H-pyridazine-5-carboxamide Openeye Name: 3-[2-(butylamino)pyrimidin-4-yl]-6-oxo-N-[3-(3-pyridyl)propyl]-1H-pyridazine-5-carboxamide CAS Name: 3-[2-(butylamino)-4-pyrimidinyl]-6-oxo-N-[3-(3-pyridinyl)propyl]-1H-pyridazine-5-carboxamide IUPAC Name: 3-[2-(butylamino)pyrimidin-4-yl]-6-oxo-N-(3-pyridin-3-ylpropyl)-1H-pyridazine-5-carboxamide Traditional Name: 3-[2-(butylamino)pyrimidin-4-yl]-6-keto-N-[3-(3-pyridyl)propyl]-1H-pyridazine-5-carboxamide Formula: C21H25N7O2 MolecularWeight: 407.4689

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC=CC(=N1)C2=NNC(=O)C(=C2)C(=O)NCCCC3=CN=CC=C3

Isomeric SMILES

CCCCNC1=NC=CC(=N1)C2=NNC(=O)C(=C2)C(=O)NCCCC3=CN=CC=C3

InChI

InChI=1S/C21H25N7O2/c1-2-3-10-24-21-25-12-8-17(26-21)18-13-16(20(30)28-27-18)19(29)23-11-5-7-15-6-4-9-22-14-15/h4,6,8-9,12-14H,2-3,5,7,10-11H2,1H3,(H,23,29)(H,28,30)(H,24,25,26)