2,6-bis(azanyl)-5-[(1E)-1-hydroxyimino-5-phenylmethoxy-pentan-2-yl]-1H-pyrimidin-4-one

Systemtic Name: 2,6-bis(azanyl)-5-[(1E)-1-hydroxyimino-5-phenylmethoxy-pentan-2-yl]-1H-pyrimidin-4-one Openeye Name: (1E)-5-benzyloxy-2-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)pentanal oxime CAS Name: (1E)-2-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)-5-phenylmethoxypentanal oxime IUPAC Name: 2,6-diamino-5-[(1E)-1-hydroxyimino-5-phenylmethoxypentan-2-yl]-1H-pyrimidin-4-one Traditional Name: (1E)-5-benzoxy-2-(2,6-diamino-4-keto-1H-pyrimidin-5-yl)valeraldoxime Formula: C16H21N5O3 MolecularWeight: 331.36964

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCCCC(C=NO)C2=C(NC(=NC2=O)N)N

Isomeric SMILES

C1=CC=C(C=C1)COCCCC(/C=N/O)C2=C(NC(=NC2=O)N)N

InChI

InChI=1S/C16H21N5O3/c17-14-13(15(22)21-16(18)20-14)12(9-19-23)7-4-8-24-10-11-5-2-1-3-6-11/h1-3,5-6,9,12,23H,4,7-8,10H2,(H5,17,18,20,21,22)/b19-9+