4-[4-[2-azanyl-5-(4-chloranylphenoxy)pyrimidin-4-yl]piperazin-1-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[4-[2-azanyl-5-(4-chloranylphenoxy)pyrimidin-4-yl]piperazin-1-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-[2-amino-5-(4-chlorophenoxy)pyrimidin-4-yl]piperazin-1-yl]-4-oxo-butanoic acid CAS Name: 4-[4-[2-amino-5-(4-chlorophenoxy)-4-pyrimidinyl]-1-piperazinyl]-4-oxobutanoic acid IUPAC Name: 4-[4-[2-amino-5-(4-chlorophenoxy)pyrimidin-4-yl]piperazin-1-yl]-4-oxobutanoic acid Traditional Name: 4-[4-[2-amino-5-(4-chlorophenoxy)pyrimidin-4-yl]piperazino]-4-keto-butyric acid Formula: C18H20ClN5O4 MolecularWeight: 405.8355

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClN5O4/c19-12-1-3-13(4-2-12)28-14-11-21-18(20)22-17(14)24-9-7-23(8-10-24)15(25)5-6-16(26)27/h1-4,11H,5-10H2,(H,26,27)(H2,20,21,22)