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

Systemtic Name: 4-[4-[2-azanyl-5-(4-chloranylphenoxy)pyrimidin-4-yl]piperazin-1-yl]-4-oxidanylidene-butanamide Openeye Name: 4-[4-[2-amino-5-(4-chlorophenoxy)pyrimidin-4-yl]piperazin-1-yl]-4-oxo-butanamide CAS Name: 4-[4-[2-amino-5-(4-chlorophenoxy)-4-pyrimidinyl]-1-piperazinyl]-4-oxobutanamide IUPAC Name: 4-[4-[2-amino-5-(4-chlorophenoxy)pyrimidin-4-yl]piperazin-1-yl]-4-oxobutanamide Traditional Name: 4-[4-[2-amino-5-(4-chlorophenoxy)pyrimidin-4-yl]piperazino]-4-keto-butyramide Formula: C18H21ClN6O3 MolecularWeight: 404.85074

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C18H21ClN6O3/c19-12-1-3-13(4-2-12)28-14-11-22-18(21)23-17(14)25-9-7-24(8-10-25)16(27)6-5-15(20)26/h1-4,11H,5-10H2,(H2,20,26)(H2,21,22,23)