N-[(2S)-3-oxidanyl-1-oxidanylidene-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-2-phenyl-propanamide

Systemtic Name: N-[(2S)-3-oxidanyl-1-oxidanylidene-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-2-phenyl-propanamide Openeye Name: N-[(1S)-1-(hydroxymethyl)-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-2-phenyl-propanamide CAS Name: N-[(2S)-3-hydroxy-1-oxo-1-[4-(2-pyrimidinyl)-1-piperazinyl]propan-2-yl]-2-phenylpropanamide IUPAC Name: N-[(2S)-3-hydroxy-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-2-phenylpropanamide Traditional Name: N-[(1S)-2-keto-1-methylol-2-[4-(2-pyrimidyl)piperazino]ethyl]-2-phenyl-propionamide Formula: C20H25N5O3 MolecularWeight: 383.4442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)C(=O)NC(CO)C(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC(C1=CC=CC=C1)C(=O)N[C@@H](CO)C(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C20H25N5O3/c1-15(16-6-3-2-4-7-16)18(27)23-17(14-26)19(28)24-10-12-25(13-11-24)20-21-8-5-9-22-20/h2-9,15,17,26H,10-14H2,1H3,(H,23,27)/t15?,17-/m0/s1