2-[[2-benzamido-3-[5-bromanyl-2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]prop-2-enoyl]amino]ethanoic acid

Systemtic Name: 2-[[2-benzamido-3-[5-bromanyl-2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]prop-2-enoyl]amino]ethanoic acid Openeye Name: 2-[[2-benzamido-3-(5-bromo-2,4-dioxo-1H-pyrimidin-6-yl)prop-2-enoyl]amino]acetic acid CAS Name: 2-[[2-benzamido-3-(5-bromo-2,4-dioxo-1H-pyrimidin-6-yl)-1-oxoprop-2-enyl]amino]acetic acid IUPAC Name: 2-[[2-benzamido-3-(5-bromo-2,4-dioxo-1H-pyrimidin-6-yl)prop-2-enoyl]amino]acetic acid Traditional Name: 2-[[2-benzamido-3-(5-bromo-2,4-diketo-1H-pyrimidin-6-yl)acryloyl]amino]acetic acid Formula: C16H13BrN4O6 MolecularWeight: 437.20162

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(=CC2=C(C(=O)NC(=O)N2)Br)C(=O)NCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC(=CC2=C(C(=O)NC(=O)N2)Br)C(=O)NCC(=O)O

InChI

InChI=1S/C16H13BrN4O6/c17-12-9(20-16(27)21-15(12)26)6-10(14(25)18-7-11(22)23)19-13(24)8-4-2-1-3-5-8/h1-6H,7H2,(H,18,25)(H,19,24)(H,22,23)(H2,20,21,26,27)