1-methyl-3-[2-oxidanyl-2-oxidanylidene-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]indole-5-carboxylic acid

Systemtic Name: 1-methyl-3-[2-oxidanyl-2-oxidanylidene-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]indole-5-carboxylic acid Openeye Name: 3-[2-hydroxy-2-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1-methyl-indole-5-carboxylic acid CAS Name: 3-[2-hydroxy-2-oxo-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]-1-methyl-5-indolecarboxylic acid IUPAC Name: 3-[2-hydroxy-2-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1-methylindole-5-carboxylic acid Traditional Name: 3-[2-hydroxy-2-keto-1-[4-(2-pyrimidyl)piperazino]ethyl]-1-methyl-indole-5-carboxylic acid Formula: C20H21N5O4 MolecularWeight: 395.41184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O4/c1-23-12-15(14-11-13(18(26)27)3-4-16(14)23)17(19(28)29)24-7-9-25(10-8-24)20-21-5-2-6-22-20/h2-6,11-12,17H,7-10H2,1H3,(H,26,27)(H,28,29)