[[2-[[methyl(piperidin-1-yl)amino]methyl]-5-oxidanylidene-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino] methanesulfonate

Systemtic Name: [[2-[[methyl(piperidin-1-yl)amino]methyl]-5-oxidanylidene-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino] methanesulfonate Openeye Name: [[2-[[methyl(1-piperidyl)amino]methyl]-5-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino] methanesulfonate CAS Name: methanesulfonic acid [[2-[[methyl(1-piperidinyl)amino]methyl]-5-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino] ester IUPAC Name: [[2-[[methyl(piperidin-1-yl)amino]methyl]-5-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino] methanesulfonate Traditional Name: methanesulfonic acid [[5-keto-2-[[methyl(piperidino)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino] ester Formula: C13H21N7O4S MolecularWeight: 371.41534

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=NC(=O)C=C(N2N1)NOS(=O)(=O)C)N3CCCCC3

Isomeric SMILES

CN(CC1=NC2=NC(=O)C=C(N2N1)NOS(=O)(=O)C)N3CCCCC3

InChI

InChI=1S/C13H21N7O4S/c1-18(19-6-4-3-5-7-19)9-10-14-13-15-12(21)8-11(20(13)16-10)17-24-25(2,22)23/h8,17H,3-7,9H2,1-2H3,(H,14,15,16,21)