(7-chloranyl-1,3-benzodioxol-5-yl)methyl 2-(6-methyl-4-oxidanylidene-2-pyridin-2-yl-1H-pyrimidin-5-yl)ethanoate

Systemtic Name: (7-chloranyl-1,3-benzodioxol-5-yl)methyl 2-(6-methyl-4-oxidanylidene-2-pyridin-2-yl-1H-pyrimidin-5-yl)ethanoate Openeye Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 2-[6-methyl-4-oxo-2-(2-pyridyl)-1H-pyrimidin-5-yl]acetate CAS Name: 2-[6-methyl-4-oxo-2-(2-pyridinyl)-1H-pyrimidin-5-yl]acetic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 2-(6-methyl-4-oxo-2-pyridin-2-yl-1H-pyrimidin-5-yl)acetate Traditional Name: 2-[4-keto-6-methyl-2-(2-pyridyl)-1H-pyrimidin-5-yl]acetic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester Formula: C20H16ClN3O5 MolecularWeight: 413.81114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)C2=CC=CC=N2)CC(=O)OCC3=CC4=C(C(=C3)Cl)OCO4

Isomeric SMILES

CC1=C(C(=O)N=C(N1)C2=CC=CC=N2)CC(=O)OCC3=CC4=C(C(=C3)Cl)OCO4

InChI

InChI=1S/C20H16ClN3O5/c1-11-13(20(26)24-19(23-11)15-4-2-3-5-22-15)8-17(25)27-9-12-6-14(21)18-16(7-12)28-10-29-18/h2-7H,8-10H2,1H3,(H,23,24,26)