3-bromanyl-4-[[8-[(3-methylphenyl)amino]-6-morpholin-4-yl-7H-purin-2-yl]amino]benzenesulfonamide

Systemtic Name: 3-bromanyl-4-[[8-[(3-methylphenyl)amino]-6-morpholin-4-yl-7H-purin-2-yl]amino]benzenesulfonamide Openeye Name: 3-bromo-4-[[8-(3-methylanilino)-6-morpholino-7H-purin-2-yl]amino]benzenesulfonamide CAS Name: 3-bromo-4-[[8-(3-methylanilino)-6-(4-morpholinyl)-7H-purin-2-yl]amino]benzenesulfonamide IUPAC Name: 3-bromo-4-[[8-(3-methylanilino)-6-morpholin-4-yl-7H-purin-2-yl]amino]benzenesulfonamide Traditional Name: 3-bromo-4-[[6-morpholino-8-(m-toluidino)-7H-purin-2-yl]amino]benzenesulfonamide Formula: C22H23BrN8O3S MolecularWeight: 559.43882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NC3=C(N2)C(=NC(=N3)NC4=C(C=C(C=C4)S(=O)(=O)N)Br)N5CCOCC5

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NC3=C(N2)C(=NC(=N3)NC4=C(C=C(C=C4)S(=O)(=O)N)Br)N5CCOCC5

InChI

InChI=1S/C22H23BrN8O3S/c1-13-3-2-4-14(11-13)25-21-27-18-19(28-21)29-22(30-20(18)31-7-9-34-10-8-31)26-17-6-5-15(12-16(17)23)35(24,32)33/h2-6,11-12H,7-10H2,1H3,(H2,24,32,33)(H3,25,26,27,28,29,30)