N-[(2S)-3-oxidanyl-1-oxidanylidene-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-3H-benzimidazole-5-carboxamide

Systemtic Name: N-[(2S)-3-oxidanyl-1-oxidanylidene-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-3H-benzimidazole-5-carboxamide Openeye Name: N-[(1S)-1-(hydroxymethyl)-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-3H-benzimidazole-5-carboxamide CAS Name: N-[(2S)-3-hydroxy-1-oxo-1-[4-(2-pyrimidinyl)-1-piperazinyl]propan-2-yl]-3H-benzimidazole-5-carboxamide IUPAC Name: N-[(2S)-3-hydroxy-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-3H-benzimidazole-5-carboxamide Traditional Name: N-[(1S)-2-keto-1-methylol-2-[4-(2-pyrimidyl)piperazino]ethyl]-3H-benzimidazole-5-carboxamide Formula: C19H21N7O3 MolecularWeight: 395.41514

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)C(CO)NC(=O)C3=CC4=C(C=C3)N=CN4

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)[C@H](CO)NC(=O)C3=CC4=C(C=C3)N=CN4

InChI

InChI=1S/C19H21N7O3/c27-11-16(24-17(28)13-2-3-14-15(10-13)23-12-22-14)18(29)25-6-8-26(9-7-25)19-20-4-1-5-21-19/h1-5,10,12,16,27H,6-9,11H2,(H,22,23)(H,24,28)/t16-/m0/s1