N8-(3-methylphenyl)-N2-(4-methylsulfonylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine

Systemtic Name: N8-(3-methylphenyl)-N2-(4-methylsulfonylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine Openeye Name: N2-(4-methylsulfonylphenyl)-6-morpholino-N8-(m-tolyl)-7H-purine-2,8-diamine CAS Name: N8-(3-methylphenyl)-N2-(4-methylsulfonylphenyl)-6-(4-morpholinyl)-7H-purine-2,8-diamine IUPAC Name: 8-N-(3-methylphenyl)-2-N-(4-methylsulfonylphenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine Traditional Name: [2-(4-mesylanilino)-6-morpholino-7H-purin-8-yl]-(m-tolyl)amine Formula: C23H25N7O3S MolecularWeight: 479.5547

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N7O3S/c1-15-4-3-5-17(14-15)25-22-26-19-20(27-22)28-23(29-21(19)30-10-12-33-13-11-30)24-16-6-8-18(9-7-16)34(2,31)32/h3-9,14H,10-13H2,1-2H3,(H3,24,25,26,27,28,29)