N-(5-tert-butyl-2-methyl-phenyl)-2-[3,3-dimethyl-4-(6-methylpyrimidin-4-yl)oxy-piperidin-1-yl]-7-methyl-purin-6-amine

Systemtic Name: N-(5-tert-butyl-2-methyl-phenyl)-2-[3,3-dimethyl-4-(6-methylpyrimidin-4-yl)oxy-piperidin-1-yl]-7-methyl-purin-6-amine Openeye Name: N-(5-tert-butyl-2-methyl-phenyl)-2-[3,3-dimethyl-4-(6-methylpyrimidin-4-yl)oxy-1-piperidyl]-7-methyl-purin-6-amine CAS Name: N-(5-tert-butyl-2-methylphenyl)-2-[3,3-dimethyl-4-[(6-methyl-4-pyrimidinyl)oxy]-1-piperidinyl]-7-methyl-6-purinamine IUPAC Name: N-(5-tert-butyl-2-methylphenyl)-2-[3,3-dimethyl-4-(6-methylpyrimidin-4-yl)oxypiperidin-1-yl]-7-methylpurin-6-amine Traditional Name: (5-tert-butyl-2-methyl-phenyl)-[2-[3,3-dimethyl-4-(6-methylpyrimidin-4-yl)oxy-piperidino]-7-methyl-purin-6-yl]amine Formula: C29H38N8O MolecularWeight: 514.66502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)(C)C)NC2=NC(=NC3=C2N(C=N3)C)N4CCC(C(C4)(C)C)OC5=NC=NC(=C5)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(C)(C)C)NC2=NC(=NC3=C2N(C=N3)C)N4CCC(C(C4)(C)C)OC5=NC=NC(=C5)C

InChI

InChI=1S/C29H38N8O/c1-18-9-10-20(28(3,4)5)14-21(18)33-26-24-25(32-17-36(24)8)34-27(35-26)37-12-11-22(29(6,7)15-37)38-23-13-19(2)30-16-31-23/h9-10,13-14,16-17,22H,11-12,15H2,1-8H3,(H,33,34,35)