5-chloranyl-6-(1-oxidanylidene-1,4-thiazinan-4-yl)-2-piperazin-1-yl-pyrimidine-4-carboxylic acid

Systemtic Name: 5-chloranyl-6-(1-oxidanylidene-1,4-thiazinan-4-yl)-2-piperazin-1-yl-pyrimidine-4-carboxylic acid Openeye Name: 5-chloro-6-(1-oxo-1,4-thiazinan-4-yl)-2-piperazin-1-yl-pyrimidine-4-carboxylic acid CAS Name: 5-chloro-6-(1-oxo-1,4-thiazinan-4-yl)-2-(1-piperazinyl)-4-pyrimidinecarboxylic acid IUPAC Name: 5-chloro-6-(1-oxo-1,4-thiazinan-4-yl)-2-piperazin-1-ylpyrimidine-4-carboxylic acid Traditional Name: 5-chloro-6-(1-keto-1,4-thiazinan-4-yl)-2-piperazino-pyrimidine-4-carboxylic acid Formula: C13H18ClN5O3S MolecularWeight: 359.83172

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=NC(=C(C(=N2)N3CCS(=O)CC3)Cl)C(=O)O

Isomeric SMILES

C1CN(CCN1)C2=NC(=C(C(=N2)N3CCS(=O)CC3)Cl)C(=O)O

InChI

InChI=1S/C13H18ClN5O3S/c14-9-10(12(20)21)16-13(19-3-1-15-2-4-19)17-11(9)18-5-7-23(22)8-6-18/h15H,1-8H2,(H,20,21)