phenyl 4-[2-azanyl-5-(4-chloranylphenoxy)pyrimidin-4-yl]piperazine-1-carboxylate

Systemtic Name: phenyl 4-[2-azanyl-5-(4-chloranylphenoxy)pyrimidin-4-yl]piperazine-1-carboxylate Openeye Name: phenyl 4-[2-amino-5-(4-chlorophenoxy)pyrimidin-4-yl]piperazine-1-carboxylate CAS Name: 4-[2-amino-5-(4-chlorophenoxy)-4-pyrimidinyl]-1-piperazinecarboxylic acid phenyl ester IUPAC Name: phenyl 4-[2-amino-5-(4-chlorophenoxy)pyrimidin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[2-amino-5-(4-chlorophenoxy)pyrimidin-4-yl]piperazine-1-carboxylic acid phenyl ester Formula: C21H20ClN5O3 MolecularWeight: 425.8682

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC(=NC=C2OC3=CC=C(C=C3)Cl)N)C(=O)OC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=NC(=NC=C2OC3=CC=C(C=C3)Cl)N)C(=O)OC4=CC=CC=C4

InChI

InChI=1S/C21H20ClN5O3/c22-15-6-8-17(9-7-15)29-18-14-24-20(23)25-19(18)26-10-12-27(13-11-26)21(28)30-16-4-2-1-3-5-16/h1-9,14H,10-13H2,(H2,23,24,25)