2,6-bis(azanyl)-5-(1-nitro-5-phenylmethoxy-pentan-2-yl)-1H-pyrimidin-4-one

Systemtic Name: 2,6-bis(azanyl)-5-(1-nitro-5-phenylmethoxy-pentan-2-yl)-1H-pyrimidin-4-one Openeye Name: 2,6-diamino-5-[4-benzyloxy-1-(nitromethyl)butyl]-1H-pyrimidin-4-one CAS Name: 2,6-diamino-5-(1-nitro-5-phenylmethoxypentan-2-yl)-1H-pyrimidin-4-one IUPAC Name: 2,6-diamino-5-(1-nitro-5-phenylmethoxypentan-2-yl)-1H-pyrimidin-4-one Traditional Name: 2,6-diamino-5-[4-benzoxy-1-(nitromethyl)butyl]-1H-pyrimidin-4-one Formula: C16H21N5O4 MolecularWeight: 347.36904

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCCCC(C[N+](=O)[O-])C2=C(NC(=NC2=O)N)N

Isomeric SMILES

C1=CC=C(C=C1)COCCCC(C[N+](=O)[O-])C2=C(NC(=NC2=O)N)N

InChI

InChI=1S/C16H21N5O4/c17-14-13(15(22)20-16(18)19-14)12(9-21(23)24)7-4-8-25-10-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H5,17,18,19,20,22)