N-[2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]-N-(4-chloranylphenoxy)propanamide hydrate

Systemtic Name: N-[2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]-N-(4-chloranylphenoxy)propanamide hydrate Openeye Name: N-(4-chlorophenoxy)-N-(2,4-dioxo-1H-pyrimidin-5-yl)propanamide hydrate CAS Name: N-(4-chlorophenoxy)-N-(2,4-dioxo-1H-pyrimidin-5-yl)propanamide hydrate IUPAC Name: N-(4-chlorophenoxy)-N-(2,4-dioxo-1H-pyrimidin-5-yl)propanamide hydrate Traditional Name: N-(4-chlorophenoxy)-N-(2,4-diketo-1H-pyrimidin-5-yl)propionamide hydrate Formula: C13H14ClN3O5 MolecularWeight: 327.72036

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(C1=CNC(=O)NC1=O)OC2=CC=C(C=C2)Cl.O

Isomeric SMILES

CCC(=O)N(C1=CNC(=O)NC1=O)OC2=CC=C(C=C2)Cl.O

InChI

InChI=1S/C13H12ClN3O4.H2O/c1-2-11(18)17(10-7-15-13(20)16-12(10)19)21-9-5-3-8(14)4-6-9;/h3-7H,2H2,1H3,(H2,15,16,19,20);1H2