3-[[2,6-bis(chloranyl)pyrimidin-4-yl]amino]propane-1-sulfonic acid

Systemtic Name: 3-[[2,6-bis(chloranyl)pyrimidin-4-yl]amino]propane-1-sulfonic acid Openeye Name: 3-[(2,6-dichloropyrimidin-4-yl)amino]propane-1-sulfonic acid CAS Name: 3-[(2,6-dichloro-4-pyrimidinyl)amino]-1-propanesulfonic acid IUPAC Name: 3-[(2,6-dichloropyrimidin-4-yl)amino]propane-1-sulfonic acid Traditional Name: 3-[(2,6-dichloropyrimidin-4-yl)amino]propane-1-sulfonic acid Formula: C7H9Cl2N3O3S MolecularWeight: 286.13566

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(N=C(N=C1Cl)Cl)NCCCS(=O)(=O)O

Isomeric SMILES

C1=C(N=C(N=C1Cl)Cl)NCCCS(=O)(=O)O

InChI

InChI=1S/C7H9Cl2N3O3S/c8-5-4-6(12-7(9)11-5)10-2-1-3-16(13,14)15/h4H,1-3H2,(H,10,11,12)(H,13,14,15)