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

Systemtic Name: ethyl 4-[2-azanyl-5-(4-chloranylphenoxy)pyrimidin-4-yl]piperazine-1-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C17H20ClN5O3 MolecularWeight: 377.8254

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=NC(=NC=C2OC3=CC=C(C=C3)Cl)N

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=NC(=NC=C2OC3=CC=C(C=C3)Cl)N

InChI

InChI=1S/C17H20ClN5O3/c1-2-25-17(24)23-9-7-22(8-10-23)15-14(11-20-16(19)21-15)26-13-5-3-12(18)4-6-13/h3-6,11H,2,7-10H2,1H3,(H2,19,20,21)