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

Systemtic Name: 2,6-bis(azanyl)-5-(1-nitro-4-phenylmethoxy-butan-2-yl)-1H-pyrimidin-4-one Openeye Name: 2,6-diamino-5-[3-benzyloxy-1-(nitromethyl)propyl]-1H-pyrimidin-4-one CAS Name: 2,6-diamino-5-(1-nitro-4-phenylmethoxybutan-2-yl)-1H-pyrimidin-4-one IUPAC Name: 2,6-diamino-5-(1-nitro-4-phenylmethoxybutan-2-yl)-1H-pyrimidin-4-one Traditional Name: 2,6-diamino-5-[3-benzoxy-1-(nitromethyl)propyl]-1H-pyrimidin-4-one Formula: C15H19N5O4 MolecularWeight: 333.34246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N5O4/c16-13-12(14(21)19-15(17)18-13)11(8-20(22)23)6-7-24-9-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H5,16,17,18,19,21)