2,6-bis(azanyl)-5-[1-(4-chlorophenyl)-2-nitro-ethyl]-1H-pyrimidin-4-one

Systemtic Name: 2,6-bis(azanyl)-5-[1-(4-chlorophenyl)-2-nitro-ethyl]-1H-pyrimidin-4-one Openeye Name: 2,6-diamino-5-[1-(4-chlorophenyl)-2-nitro-ethyl]-1H-pyrimidin-4-one CAS Name: 2,6-diamino-5-[1-(4-chlorophenyl)-2-nitroethyl]-1H-pyrimidin-4-one IUPAC Name: 2,6-diamino-5-[1-(4-chlorophenyl)-2-nitroethyl]-1H-pyrimidin-4-one Traditional Name: 2,6-diamino-5-[1-(4-chlorophenyl)-2-nitro-ethyl]-1H-pyrimidin-4-one Formula: C12H12ClN5O3 MolecularWeight: 309.70838

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(C[N+](=O)[O-])C2=C(NC(=NC2=O)N)N)Cl

Isomeric SMILES

C1=CC(=CC=C1C(C[N+](=O)[O-])C2=C(NC(=NC2=O)N)N)Cl

InChI

InChI=1S/C12H12ClN5O3/c13-7-3-1-6(2-4-7)8(5-18(20)21)9-10(14)16-12(15)17-11(9)19/h1-4,8H,5H2,(H5,14,15,16,17,19)