2-[[[2-(4-ethanoylpiperazin-1-yl)pyrimidin-4-yl]amino]methylidene]propanedioate

Systemtic Name: 2-[[[2-(4-ethanoylpiperazin-1-yl)pyrimidin-4-yl]amino]methylidene]propanedioate Openeye Name: 2-[[[2-(4-acetylpiperazin-1-yl)pyrimidin-4-yl]amino]methylene]propanedioate CAS Name: 2-[[[2-(4-acetyl-1-piperazinyl)-4-pyrimidinyl]amino]methylidene]propanedioate IUPAC Name: 2-[[[2-(4-acetylpiperazin-1-yl)pyrimidin-4-yl]amino]methylidene]propanedioate Traditional Name: 2-[[[2-(4-acetylpiperazino)pyrimidin-4-yl]amino]methylene]malonate Formula: C14H15N5O5-2 MolecularWeight: 333.2994

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=NC=CC(=N2)NC=C(C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=NC=CC(=N2)NC=C(C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C14H17N5O5/c1-9(20)18-4-6-19(7-5-18)14-15-3-2-11(17-14)16-8-10(12(21)22)13(23)24/h2-3,8H,4-7H2,1H3,(H,21,22)(H,23,24)(H,15,16,17)/p-2