N-[(4-methoxyphenyl)methyl]-2-methylsulfonyl-9-(oxan-2-yl)purin-6-amine

Systemtic Name: N-[(4-methoxyphenyl)methyl]-2-methylsulfonyl-9-(oxan-2-yl)purin-6-amine Openeye Name: N-[(4-methoxyphenyl)methyl]-2-methylsulfonyl-9-tetrahydropyran-2-yl-purin-6-amine CAS Name: N-[(4-methoxyphenyl)methyl]-2-methylsulfonyl-9-(2-oxanyl)-6-purinamine IUPAC Name: N-[(4-methoxyphenyl)methyl]-2-methylsulfonyl-9-(oxan-2-yl)purin-6-amine Traditional Name: (2-mesyl-9-tetrahydropyran-2-yl-purin-6-yl)-p-anisyl-amine Formula: C19H23N5O4S MolecularWeight: 417.48202

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC2=NC(=NC3=C2N=CN3C4CCCCO4)S(=O)(=O)C

Isomeric SMILES

COC1=CC=C(C=C1)CNC2=NC(=NC3=C2N=CN3C4CCCCO4)S(=O)(=O)C

InChI

InChI=1S/C19H23N5O4S/c1-27-14-8-6-13(7-9-14)11-20-17-16-18(23-19(22-17)29(2,25)26)24(12-21-16)15-5-3-4-10-28-15/h6-9,12,15H,3-5,10-11H2,1-2H3,(H,20,22,23)