3-[[[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-(3-oxidanyl-3-oxidanylidene-propanoyl)oxy-methoxy]-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[[[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-(3-oxidanyl-3-oxidanylidene-propanoyl)oxy-methoxy]-3-oxidanylidene-propanoic acid Openeye Name: 3-[(3-hydroxy-3-oxo-propanoyl)oxy-[[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]methoxy]-3-oxo-propanoic acid CAS Name: 3-[(3-hydroxy-1,3-dioxopropoxy)-[[2-(4-methyl-1-piperazinyl)-4-pyrimidinyl]amino]methoxy]-3-oxopropanoic acid IUPAC Name: 3-[(3-hydroxy-3-oxopropanoyl)oxy-[[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]methoxy]-3-oxopropanoic acid Traditional Name: 3-[(3-hydroxy-3-keto-propanoyl)oxy-[[2-(4-methylpiperazino)pyrimidin-4-yl]amino]methoxy]-3-keto-propionic acid Formula: C16H21N5O8 MolecularWeight: 411.36664

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC=CC(=N2)NC(OC(=O)CC(=O)O)OC(=O)CC(=O)O

Isomeric SMILES

CN1CCN(CC1)C2=NC=CC(=N2)NC(OC(=O)CC(=O)O)OC(=O)CC(=O)O

InChI

InChI=1S/C16H21N5O8/c1-20-4-6-21(7-5-20)15-17-3-2-10(18-15)19-16(28-13(26)8-11(22)23)29-14(27)9-12(24)25/h2-3,16H,4-9H2,1H3,(H,22,23)(H,24,25)(H,17,18,19)