methanesulfonic acid; N-methyl-9-(phenylmethyl)purin-6-amine

Systemtic Name: methanesulfonic acid; N-methyl-9-(phenylmethyl)purin-6-amine Openeye Name: 9-benzyl-N-methyl-purin-6-amine; methanesulfonic acid CAS Name: methanesulfonic acid; N-methyl-9-(phenylmethyl)-6-purinamine IUPAC Name: 9-benzyl-N-methylpurin-6-amine; methanesulfonic acid Traditional Name: (9-benzylpurin-6-yl)-methyl-amine; mesylic acid Formula: C14H17N5O3S MolecularWeight: 335.38148

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC=NC2=C1N=CN2CC3=CC=CC=C3.CS(=O)(=O)O

Isomeric SMILES

CNC1=NC=NC2=C1N=CN2CC3=CC=CC=C3.CS(=O)(=O)O

InChI

InChI=1S/C13H13N5.CH4O3S/c1-14-12-11-13(16-8-15-12)18(9-17-11)7-10-5-3-2-4-6-10;1-5(2,3)4/h2-6,8-9H,7H2,1H3,(H,14,15,16);1H3,(H,2,3,4)