2-chloranyl-5-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]benzoic acid

Systemtic Name: 2-chloranyl-5-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]benzoic acid Openeye Name: 2-chloro-5-[(4,6-dimorpholino-1,3,5-triazin-2-yl)sulfanyl]benzoic acid CAS Name: 5-[[4,6-bis(4-morpholinyl)-1,3,5-triazin-2-yl]thio]-2-chlorobenzoic acid IUPAC Name: 2-chloro-5-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]benzoic acid Traditional Name: 2-chloro-5-[(4,6-dimorpholino-s-triazin-2-yl)thio]benzoic acid Formula: C18H20ClN5O4S MolecularWeight: 437.9005

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC(=NC(=N2)SC3=CC(=C(C=C3)Cl)C(=O)O)N4CCOCC4

Isomeric SMILES

C1COCCN1C2=NC(=NC(=N2)SC3=CC(=C(C=C3)Cl)C(=O)O)N4CCOCC4

InChI

InChI=1S/C18H20ClN5O4S/c19-14-2-1-12(11-13(14)15(25)26)29-18-21-16(23-3-7-27-8-4-23)20-17(22-18)24-5-9-28-10-6-24/h1-2,11H,3-10H2,(H,25,26)