N-(4-dimethylphosphorylphenyl)-2-(3-methylpiperidin-1-yl)-9-(1,3-thiazol-4-yl)purin-6-amine

Systemtic Name: N-(4-dimethylphosphorylphenyl)-2-(3-methylpiperidin-1-yl)-9-(1,3-thiazol-4-yl)purin-6-amine Openeye Name: N-(4-dimethylphosphorylphenyl)-2-(3-methyl-1-piperidyl)-9-thiazol-4-yl-purin-6-amine CAS Name: N-(4-dimethylphosphorylphenyl)-2-(3-methyl-1-piperidinyl)-9-(4-thiazolyl)-6-purinamine IUPAC Name: N-(4-dimethylphosphorylphenyl)-2-(3-methylpiperidin-1-yl)-9-(1,3-thiazol-4-yl)purin-6-amine Traditional Name: (4-dimethylphosphorylphenyl)-[2-(3-methylpiperidino)-9-thiazol-4-yl-purin-6-yl]amine Formula: C22H26N7OPS MolecularWeight: 467.526901

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=NC3=C(C(=N2)NC4=CC=C(C=C4)P(=O)(C)C)N=CN3C5=CSC=N5

Isomeric SMILES

CC1CCCN(C1)C2=NC3=C(C(=N2)NC4=CC=C(C=C4)P(=O)(C)C)N=CN3C5=CSC=N5

InChI

InChI=1S/C22H26N7OPS/c1-15-5-4-10-28(11-15)22-26-20(25-16-6-8-17(9-7-16)31(2,3)30)19-21(27-22)29(13-23-19)18-12-32-14-24-18/h6-9,12-15H,4-5,10-11H2,1-3H3,(H,25,26,27)