5-methyl-N-(2-morpholin-4-ium-4-ylethyl)-1-(5H-thiochromeno[4,3-d]pyrimidin-2-yl)pyrazole-4-carboxamide

Systemtic Name: 5-methyl-N-(2-morpholin-4-ium-4-ylethyl)-1-(5H-thiochromeno[4,3-d]pyrimidin-2-yl)pyrazole-4-carboxamide Openeye Name: 5-methyl-N-(2-morpholin-4-ium-4-ylethyl)-1-(5H-thiochromeno[4,3-d]pyrimidin-2-yl)pyrazole-4-carboxamide CAS Name: 5-methyl-N-[2-(4-morpholin-4-iumyl)ethyl]-1-(5H-thiochromeno[4,3-d]pyrimidin-2-yl)-4-pyrazolecarboxamide IUPAC Name: 5-methyl-N-(2-morpholin-4-ium-4-ylethyl)-1-(5H-thiochromeno[4,3-d]pyrimidin-2-yl)pyrazole-4-carboxamide Traditional Name: 5-methyl-N-(2-morpholin-4-ium-4-ylethyl)-1-(5H-thiochromeno[4,3-d]pyrimidin-2-yl)pyrazole-4-carboxamide Formula: C22H25N6O2S+ MolecularWeight: 437.5379

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=NC=C3CSC4=CC=CC=C4C3=N2)C(=O)NCC[NH+]5CCOCC5

Isomeric SMILES

CC1=C(C=NN1C2=NC=C3CSC4=CC=CC=C4C3=N2)C(=O)NCC[NH+]5CCOCC5

InChI

InChI=1S/C22H24N6O2S/c1-15-18(21(29)23-6-7-27-8-10-30-11-9-27)13-25-28(15)22-24-12-16-14-31-19-5-3-2-4-17(19)20(16)26-22/h2-5,12-13H,6-11,14H2,1H3,(H,23,29)/p+1