methyl 2-[2-(3-oxidanylidenepiperazin-1-yl)carbonylpyrimidin-4-yl]ethanoate

Systemtic Name: methyl 2-[2-(3-oxidanylidenepiperazin-1-yl)carbonylpyrimidin-4-yl]ethanoate Openeye Name: methyl 2-[2-(3-oxopiperazine-1-carbonyl)pyrimidin-4-yl]acetate CAS Name: 2-[2-[oxo-(3-oxo-1-piperazinyl)methyl]-4-pyrimidinyl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(3-oxopiperazine-1-carbonyl)pyrimidin-4-yl]acetate Traditional Name: 2-[2-(3-ketopiperazine-1-carbonyl)pyrimidin-4-yl]acetic acid methyl ester Formula: C12H14N4O4 MolecularWeight: 278.26396

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=NC(=NC=C1)C(=O)N2CCNC(=O)C2

Isomeric SMILES

COC(=O)CC1=NC(=NC=C1)C(=O)N2CCNC(=O)C2

InChI

InChI=1S/C12H14N4O4/c1-20-10(18)6-8-2-3-14-11(15-8)12(19)16-5-4-13-9(17)7-16/h2-3H,4-7H2,1H3,(H,13,17)