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

Systemtic Name: 4-[2-[[8-[(3-methylphenyl)amino]-6-morpholin-4-yl-7H-purin-2-yl]amino]ethyl]benzenesulfonamide Openeye Name: 4-[2-[[8-(3-methylanilino)-6-morpholino-7H-purin-2-yl]amino]ethyl]benzenesulfonamide CAS Name: 4-[2-[[8-(3-methylanilino)-6-(4-morpholinyl)-7H-purin-2-yl]amino]ethyl]benzenesulfonamide IUPAC Name: 4-[2-[[8-(3-methylanilino)-6-morpholin-4-yl-7H-purin-2-yl]amino]ethyl]benzenesulfonamide Traditional Name: 4-[2-[[6-morpholino-8-(m-toluidino)-7H-purin-2-yl]amino]ethyl]benzenesulfonamide Formula: C24H28N8O3S MolecularWeight: 508.59592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NC3=C(N2)C(=NC(=N3)NCCC4=CC=C(C=C4)S(=O)(=O)N)N5CCOCC5

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NC3=C(N2)C(=NC(=N3)NCCC4=CC=C(C=C4)S(=O)(=O)N)N5CCOCC5

InChI

InChI=1S/C24H28N8O3S/c1-16-3-2-4-18(15-16)27-24-28-20-21(30-24)29-23(31-22(20)32-11-13-35-14-12-32)26-10-9-17-5-7-19(8-6-17)36(25,33)34/h2-8,15H,9-14H2,1H3,(H2,25,33,34)(H3,26,27,28,29,30,31)