5-nitro-6-[(phenylmethyl)amino]-1H-pyrimidin-4-one

Systemtic Name: 5-nitro-6-[(phenylmethyl)amino]-1H-pyrimidin-4-one Openeye Name: 6-(benzylamino)-5-nitro-1H-pyrimidin-4-one CAS Name: 5-nitro-6-[(phenylmethyl)amino]-1H-pyrimidin-4-one IUPAC Name: 6-(benzylamino)-5-nitro-1H-pyrimidin-4-one Traditional Name: 6-(benzylamino)-5-nitro-1H-pyrimidin-4-one Formula: C11H10N4O3 MolecularWeight: 246.2221

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C(=O)N=CN2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C(=O)N=CN2)[N+](=O)[O-]

InChI

InChI=1S/C11H10N4O3/c16-11-9(15(17)18)10(13-7-14-11)12-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,12,13,14,16)