butane; 3-[[[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-(3-oxidanidyl-3-oxidanylidene-propanoyl)oxy-methoxy]-3-oxidanylidene-propanoate

Systemtic Name: butane; 3-[[[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-(3-oxidanidyl-3-oxidanylidene-propanoyl)oxy-methoxy]-3-oxidanylidene-propanoate Openeye Name: butane; 3-[[[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-(3-oxido-3-oxo-propanoyl)oxy-methoxy]-3-oxo-propanoate CAS Name: butane; 3-[[[2-(4-methyl-1-piperazinyl)-4-pyrimidinyl]amino]-(3-oxido-1,3-dioxopropoxy)methoxy]-3-oxopropanoate IUPAC Name: butane; 3-[[[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-(3-oxido-3-oxopropanoyl)oxymethoxy]-3-oxopropanoate Traditional Name: 3-keto-3-[(3-keto-3-oxido-propanoyl)oxy-[[2-(4-methylpiperazino)pyrimidin-4-yl]amino]methoxy]propionate; n-butane Formula: C20H29N5O8-2 MolecularWeight: 467.47296

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Descriptors Computed from Structure

Canonical SMILES:

CCCC.CN1CCN(CC1)C2=NC=CC(=N2)NC(OC(=O)CC(=O)[O-])OC(=O)CC(=O)[O-]

Isomeric SMILES

CCCC.CN1CCN(CC1)C2=NC=CC(=N2)NC(OC(=O)CC(=O)[O-])OC(=O)CC(=O)[O-]

InChI

InChI=1S/C16H21N5O8.C4H10/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;1-3-4-2/h2-3,16H,4-9H2,1H3,(H,22,23)(H,24,25)(H,17,18,19);3-4H2,1-2H3/p-2