N2-methyl-N6-(4-methylsulfinylphenyl)-N2-(oxan-4-yl)-9-(1,3-thiazol-4-yl)purine-2,6-diamine

Systemtic Name: N2-methyl-N6-(4-methylsulfinylphenyl)-N2-(oxan-4-yl)-9-(1,3-thiazol-4-yl)purine-2,6-diamine Openeye Name: N2-methyl-N6-(4-methylsulfinylphenyl)-N2-tetrahydropyran-4-yl-9-thiazol-4-yl-purine-2,6-diamine CAS Name: N2-methyl-N6-(4-methylsulfinylphenyl)-N2-(4-oxanyl)-9-(4-thiazolyl)purine-2,6-diamine IUPAC Name: 2-N-methyl-6-N-(4-methylsulfinylphenyl)-2-N-(oxan-4-yl)-9-(1,3-thiazol-4-yl)purine-2,6-diamine Traditional Name: methyl-[6-(4-methylsulfinylanilino)-9-thiazol-4-yl-purin-2-yl]-tetrahydropyran-4-yl-amine Formula: C21H23N7O2S2 MolecularWeight: 469.58302

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCOCC1)C2=NC3=C(C(=N2)NC4=CC=C(C=C4)S(=O)C)N=CN3C5=CSC=N5

Isomeric SMILES

CN(C1CCOCC1)C2=NC3=C(C(=N2)NC4=CC=C(C=C4)S(=O)C)N=CN3C5=CSC=N5

InChI

InChI=1S/C21H23N7O2S2/c1-27(15-7-9-30-10-8-15)21-25-19(24-14-3-5-16(6-4-14)32(2)29)18-20(26-21)28(12-22-18)17-11-31-13-23-17/h3-6,11-13,15H,7-10H2,1-2H3,(H,24,25,26)