2-azanyl-4-[[4-(butan-2-ylamino)-6-chloranyl-1,3,5-triazin-2-yl]amino]benzenesulfonic acid

Systemtic Name: 2-azanyl-4-[[4-(butan-2-ylamino)-6-chloranyl-1,3,5-triazin-2-yl]amino]benzenesulfonic acid Openeye Name: 2-amino-4-[[4-chloro-6-(sec-butylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonic acid CAS Name: 2-amino-4-[[4-(butan-2-ylamino)-6-chloro-1,3,5-triazin-2-yl]amino]benzenesulfonic acid IUPAC Name: 2-amino-4-[[4-(butan-2-ylamino)-6-chloro-1,3,5-triazin-2-yl]amino]benzenesulfonic acid Traditional Name: 2-amino-4-[[4-chloro-6-(sec-butylamino)-s-triazin-2-yl]amino]besylic acid Formula: C13H17ClN6O3S MolecularWeight: 372.83048

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1=NC(=NC(=N1)NC2=CC(=C(C=C2)S(=O)(=O)O)N)Cl

Isomeric SMILES

CCC(C)NC1=NC(=NC(=N1)NC2=CC(=C(C=C2)S(=O)(=O)O)N)Cl

InChI

InChI=1S/C13H17ClN6O3S/c1-3-7(2)16-12-18-11(14)19-13(20-12)17-8-4-5-10(9(15)6-8)24(21,22)23/h4-7H,3,15H2,1-2H3,(H,21,22,23)(H2,16,17,18,19,20)