5-[4-(aminomethyl)piperidin-1-yl]-2-(2-oxidanylidene-2-thiomorpholin-4-yl-ethyl)pyridazin-3-one

Systemtic Name: 5-[4-(aminomethyl)piperidin-1-yl]-2-(2-oxidanylidene-2-thiomorpholin-4-yl-ethyl)pyridazin-3-one Openeye Name: 5-[4-(aminomethyl)-1-piperidyl]-2-(2-oxo-2-thiomorpholino-ethyl)pyridazin-3-one CAS Name: 5-[4-(aminomethyl)-1-piperidinyl]-2-(2-oxo-2-thiomorpholin-4-ylethyl)-3-pyridazinone IUPAC Name: 5-[4-(aminomethyl)piperidin-1-yl]-2-(2-oxo-2-thiomorpholin-4-ylethyl)pyridazin-3-one Traditional Name: 5-[4-(aminomethyl)piperidino]-2-(2-keto-2-thiomorpholino-ethyl)pyridazin-3-one Formula: C16H25N5O2S MolecularWeight: 351.467

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CN)C2=CC(=O)N(N=C2)CC(=O)N3CCSCC3

Isomeric SMILES

C1CN(CCC1CN)C2=CC(=O)N(N=C2)CC(=O)N3CCSCC3

InChI

InChI=1S/C16H25N5O2S/c17-10-13-1-3-19(4-2-13)14-9-15(22)21(18-11-14)12-16(23)20-5-7-24-8-6-20/h9,11,13H,1-8,10,12,17H2