2-[4-[2-azanyl-5-(4-chloranylphenoxy)pyrimidin-4-yl]piperazin-1-yl]ethyl 2,2-dimethylpropanoate

Systemtic Name: 2-[4-[2-azanyl-5-(4-chloranylphenoxy)pyrimidin-4-yl]piperazin-1-yl]ethyl 2,2-dimethylpropanoate Openeye Name: 2-[4-[2-amino-5-(4-chlorophenoxy)pyrimidin-4-yl]piperazin-1-yl]ethyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid 2-[4-[2-amino-5-(4-chlorophenoxy)-4-pyrimidinyl]-1-piperazinyl]ethyl ester IUPAC Name: 2-[4-[2-amino-5-(4-chlorophenoxy)pyrimidin-4-yl]piperazin-1-yl]ethyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid 2-[4-[2-amino-5-(4-chlorophenoxy)pyrimidin-4-yl]piperazino]ethyl ester Formula: C21H28ClN5O3 MolecularWeight: 433.93172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCCN1CCN(CC1)C2=NC(=NC=C2OC3=CC=C(C=C3)Cl)N

Isomeric SMILES

CC(C)(C)C(=O)OCCN1CCN(CC1)C2=NC(=NC=C2OC3=CC=C(C=C3)Cl)N

InChI

InChI=1S/C21H28ClN5O3/c1-21(2,3)19(28)29-13-12-26-8-10-27(11-9-26)18-17(14-24-20(23)25-18)30-16-6-4-15(22)5-7-16/h4-7,14H,8-13H2,1-3H3,(H2,23,24,25)