4-[(4-chloranyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]cyclohexa-2,4-diene-1-sulfonic acid

Systemtic Name: 4-[(4-chloranyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]cyclohexa-2,4-diene-1-sulfonic acid Openeye Name: 4-[(4-chloro-6-morpholino-1,3,5-triazin-2-yl)amino]cyclohexa-2,4-diene-1-sulfonic acid CAS Name: 4-[[4-chloro-6-(4-morpholinyl)-1,3,5-triazin-2-yl]amino]-1-cyclohexa-2,4-dienesulfonic acid IUPAC Name: 4-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]cyclohexa-2,4-diene-1-sulfonic acid Traditional Name: 4-[(4-chloro-6-morpholino-s-triazin-2-yl)amino]cyclohexa-2,4-diene-1-sulfonic acid Formula: C13H16ClN5O4S MolecularWeight: 373.81524

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC(=NC(=N2)Cl)NC3=CCC(C=C3)S(=O)(=O)O

Isomeric SMILES

C1COCCN1C2=NC(=NC(=N2)Cl)NC3=CCC(C=C3)S(=O)(=O)O

InChI

InChI=1S/C13H16ClN5O4S/c14-11-16-12(18-13(17-11)19-5-7-23-8-6-19)15-9-1-3-10(4-2-9)24(20,21)22/h1-3,10H,4-8H2,(H,20,21,22)(H,15,16,17,18)