4-[[4-[(3-azanyl-3-oxidanylidene-propyl)-propyl-amino]-6-methyl-1,3,5-triazin-2-yl]amino]benzenesulfonic acid

Systemtic Name: 4-[[4-[(3-azanyl-3-oxidanylidene-propyl)-propyl-amino]-6-methyl-1,3,5-triazin-2-yl]amino]benzenesulfonic acid Openeye Name: 4-[[4-[(3-amino-3-oxo-propyl)-propyl-amino]-6-methyl-1,3,5-triazin-2-yl]amino]benzenesulfonic acid CAS Name: 4-[[4-[(3-amino-3-oxopropyl)-propylamino]-6-methyl-1,3,5-triazin-2-yl]amino]benzenesulfonic acid IUPAC Name: 4-[[4-[(3-amino-3-oxopropyl)-propylamino]-6-methyl-1,3,5-triazin-2-yl]amino]benzenesulfonic acid Traditional Name: 4-[[4-[(3-amino-3-keto-propyl)-propyl-amino]-6-methyl-s-triazin-2-yl]amino]besylic acid Formula: C16H22N6O4S MolecularWeight: 394.44868

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC(=O)N)C1=NC(=NC(=N1)NC2=CC=C(C=C2)S(=O)(=O)O)C

Isomeric SMILES

CCCN(CCC(=O)N)C1=NC(=NC(=N1)NC2=CC=C(C=C2)S(=O)(=O)O)C

InChI

InChI=1S/C16H22N6O4S/c1-3-9-22(10-8-14(17)23)16-19-11(2)18-15(21-16)20-12-4-6-13(7-5-12)27(24,25)26/h4-7H,3,8-10H2,1-2H3,(H2,17,23)(H,24,25,26)(H,18,19,20,21)