3-(1H-indol-3-yl)-N-[(2S)-3-oxidanyl-1-oxidanylidene-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]prop-2-enamide

Systemtic Name: 3-(1H-indol-3-yl)-N-[(2S)-3-oxidanyl-1-oxidanylidene-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]prop-2-enamide Openeye Name: N-[(1S)-1-(hydroxymethyl)-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-3-(1H-indol-3-yl)prop-2-enamide CAS Name: N-[(2S)-3-hydroxy-1-oxo-1-[4-(2-pyrimidinyl)-1-piperazinyl]propan-2-yl]-3-(1H-indol-3-yl)-2-propenamide IUPAC Name: N-[(2S)-3-hydroxy-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-3-(1H-indol-3-yl)prop-2-enamide Traditional Name: 3-(1H-indol-3-yl)-N-[(1S)-2-keto-1-methylol-2-[4-(2-pyrimidyl)piperazino]ethyl]acrylamide Formula: C22H24N6O3 MolecularWeight: 420.46436

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)C(CO)NC(=O)C=CC3=CNC4=CC=CC=C43

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)[C@H](CO)NC(=O)C=CC3=CNC4=CC=CC=C43

InChI

InChI=1S/C22H24N6O3/c29-15-19(21(31)27-10-12-28(13-11-27)22-23-8-3-9-24-22)26-20(30)7-6-16-14-25-18-5-2-1-4-17(16)18/h1-9,14,19,25,29H,10-13,15H2,(H,26,30)/t19-/m0/s1