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

Systemtic Name: methyl 2-[2-(3-oxidanylidenepiperazin-1-yl)carbonylpyrimidin-4-yl]ethanoate hydrochloride Openeye Name: methyl 2-[2-(3-oxopiperazine-1-carbonyl)pyrimidin-4-yl]acetate hydrochloride CAS Name: 2-[2-[oxo-(3-oxo-1-piperazinyl)methyl]-4-pyrimidinyl]acetic acid methyl ester hydrochloride IUPAC Name: methyl 2-[2-(3-oxopiperazine-1-carbonyl)pyrimidin-4-yl]acetate hydrochloride Traditional Name: 2-[2-(3-ketopiperazine-1-carbonyl)pyrimidin-4-yl]acetic acid methyl ester hydrochloride Formula: C12H15ClN4O4 MolecularWeight: 314.7249

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N4O4.ClH/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);1H