3-[1-[4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]-2-oxidanyl-2-oxidanylidene-ethyl]-1-methyl-indole-6-carboxylic acid

Systemtic Name: 3-[1-[4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]-2-oxidanyl-2-oxidanylidene-ethyl]-1-methyl-indole-6-carboxylic acid Openeye Name: 3-[1-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-2-hydroxy-2-oxo-ethyl]-1-methyl-indole-6-carboxylic acid CAS Name: 3-[1-[4-(5-bromo-2-pyrimidinyl)-1-piperazinyl]-2-hydroxy-2-oxoethyl]-1-methyl-6-indolecarboxylic acid IUPAC Name: 3-[1-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-2-hydroxy-2-oxoethyl]-1-methylindole-6-carboxylic acid Traditional Name: 3-[1-[4-(5-bromopyrimidin-2-yl)piperazino]-2-hydroxy-2-keto-ethyl]-1-methyl-indole-6-carboxylic acid Formula: C20H20BrN5O4 MolecularWeight: 474.3079

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=C1C=C(C=C2)C(=O)O)C(C(=O)O)N3CCN(CC3)C4=NC=C(C=N4)Br

Isomeric SMILES

CN1C=C(C2=C1C=C(C=C2)C(=O)O)C(C(=O)O)N3CCN(CC3)C4=NC=C(C=N4)Br

InChI

InChI=1S/C20H20BrN5O4/c1-24-11-15(14-3-2-12(18(27)28)8-16(14)24)17(19(29)30)25-4-6-26(7-5-25)20-22-9-13(21)10-23-20/h2-3,8-11,17H,4-7H2,1H3,(H,27,28)(H,29,30)