methanesulfonic acid; N-(3-methylphenyl)-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)-7H-purin-8-amine

Systemtic Name: methanesulfonic acid; N-(3-methylphenyl)-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)-7H-purin-8-amine Openeye Name: methanesulfonic acid; 6-morpholino-N-(m-tolyl)-2-[2-(2-pyridyl)ethoxy]-7H-purin-8-amine CAS Name: methanesulfonic acid; N-(3-methylphenyl)-6-(4-morpholinyl)-2-[2-(2-pyridinyl)ethoxy]-7H-purin-8-amine IUPAC Name: methanesulfonic acid; N-(3-methylphenyl)-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)-7H-purin-8-amine Traditional Name: mesylic acid; [6-morpholino-2-[2-(2-pyridyl)ethoxy]-7H-purin-8-yl]-(m-tolyl)amine Formula: C25H33N7O8S2 MolecularWeight: 623.70162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NC3=C(N2)C(=NC(=N3)OCCC4=CC=CC=N4)N5CCOCC5.CS(=O)(=O)O.CS(=O)(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NC3=C(N2)C(=NC(=N3)OCCC4=CC=CC=N4)N5CCOCC5.CS(=O)(=O)O.CS(=O)(=O)O

InChI

InChI=1S/C23H25N7O2.2CH4O3S/c1-16-5-4-7-18(15-16)25-22-26-19-20(27-22)28-23(29-21(19)30-10-13-31-14-11-30)32-12-8-17-6-2-3-9-24-17;2*1-5(2,3)4/h2-7,9,15H,8,10-14H2,1H3,(H2,25,26,27,28,29);2*1H3,(H,2,3,4)