2-azanyl-6-[(4-methoxyphenyl)methylamino]-5-nitro-1H-pyrimidin-4-one

Systemtic Name: 2-azanyl-6-[(4-methoxyphenyl)methylamino]-5-nitro-1H-pyrimidin-4-one Openeye Name: 2-amino-6-[(4-methoxyphenyl)methylamino]-5-nitro-1H-pyrimidin-4-one CAS Name: 2-amino-6-[(4-methoxyphenyl)methylamino]-5-nitro-1H-pyrimidin-4-one IUPAC Name: 2-amino-6-[(4-methoxyphenyl)methylamino]-5-nitro-1H-pyrimidin-4-one Traditional Name: 2-amino-5-nitro-6-(p-anisylamino)-1H-pyrimidin-4-one Formula: C12H13N5O4 MolecularWeight: 291.26272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC2=C(C(=O)N=C(N2)N)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)CNC2=C(C(=O)N=C(N2)N)[N+](=O)[O-]

InChI

InChI=1S/C12H13N5O4/c1-21-8-4-2-7(3-5-8)6-14-10-9(17(19)20)11(18)16-12(13)15-10/h2-5H,6H2,1H3,(H4,13,14,15,16,18)