methyl 2-[4-[2-azanyl-5-(4-chloranylphenoxy)pyrimidin-4-yl]piperazin-1-yl]-2-oxidanylidene-ethanoate

Systemtic Name: methyl 2-[4-[2-azanyl-5-(4-chloranylphenoxy)pyrimidin-4-yl]piperazin-1-yl]-2-oxidanylidene-ethanoate Openeye Name: methyl 2-[4-[2-amino-5-(4-chlorophenoxy)pyrimidin-4-yl]piperazin-1-yl]-2-oxo-acetate CAS Name: 2-[4-[2-amino-5-(4-chlorophenoxy)-4-pyrimidinyl]-1-piperazinyl]-2-oxoacetic acid methyl ester IUPAC Name: methyl 2-[4-[2-amino-5-(4-chlorophenoxy)pyrimidin-4-yl]piperazin-1-yl]-2-oxoacetate Traditional Name: 2-[4-[2-amino-5-(4-chlorophenoxy)pyrimidin-4-yl]piperazino]-2-keto-acetic acid methyl ester Formula: C17H18ClN5O4 MolecularWeight: 391.80892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClN5O4/c1-26-16(25)15(24)23-8-6-22(7-9-23)14-13(10-20-17(19)21-14)27-12-4-2-11(18)3-5-12/h2-5,10H,6-9H2,1H3,(H2,19,20,21)