[4-[(4-azanylpyrimidin-5-yl)amino]-2-tert-butyl-phenyl] 3,3-dimethylbutanoate

Systemtic Name: [4-[(4-azanylpyrimidin-5-yl)amino]-2-tert-butyl-phenyl] 3,3-dimethylbutanoate Openeye Name: [4-[(4-aminopyrimidin-5-yl)amino]-2-tert-butyl-phenyl] 3,3-dimethylbutanoate CAS Name: 3,3-dimethylbutanoic acid [4-[(4-amino-5-pyrimidinyl)amino]-2-tert-butylphenyl] ester IUPAC Name: [4-[(4-aminopyrimidin-5-yl)amino]-2-tert-butylphenyl] 3,3-dimethylbutanoate Traditional Name: 3,3-dimethylbutyric acid [4-[(4-aminopyrimidin-5-yl)amino]-2-tert-butyl-phenyl] ester Formula: C20H28N4O2 MolecularWeight: 356.46192

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)OC1=C(C=C(C=C1)NC2=CN=CN=C2N)C(C)(C)C

Isomeric SMILES

CC(C)(C)CC(=O)OC1=C(C=C(C=C1)NC2=CN=CN=C2N)C(C)(C)C

InChI

InChI=1S/C20H28N4O2/c1-19(2,3)10-17(25)26-16-8-7-13(9-14(16)20(4,5)6)24-15-11-22-12-23-18(15)21/h7-9,11-12,24H,10H2,1-6H3,(H2,21,22,23)