3-azanyl-5-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]-4-oxidanyl-benzenesulfonic acid

Systemtic Name: 3-azanyl-5-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]-4-oxidanyl-benzenesulfonic acid Openeye Name: 3-amino-5-[(4,6-dimorpholino-1,3,5-triazin-2-yl)amino]-4-hydroxy-benzenesulfonic acid CAS Name: 3-amino-5-[[4,6-bis(4-morpholinyl)-1,3,5-triazin-2-yl]amino]-4-hydroxybenzenesulfonic acid IUPAC Name: 3-amino-5-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]-4-hydroxybenzenesulfonic acid Traditional Name: 3-amino-5-[(4,6-dimorpholino-s-triazin-2-yl)amino]-4-hydroxy-besylic acid Formula: C17H23N7O6S MolecularWeight: 453.47282

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC(=NC(=N2)NC3=C(C(=CC(=C3)S(=O)(=O)O)N)O)N4CCOCC4

Isomeric SMILES

C1COCCN1C2=NC(=NC(=N2)NC3=C(C(=CC(=C3)S(=O)(=O)O)N)O)N4CCOCC4

InChI

InChI=1S/C17H23N7O6S/c18-12-9-11(31(26,27)28)10-13(14(12)25)19-15-20-16(23-1-5-29-6-2-23)22-17(21-15)24-3-7-30-8-4-24/h9-10,25H,1-8,18H2,(H,26,27,28)(H,19,20,21,22)