3-azanyl-1,3-dimethyl-6-[2-[methyl-(4-nitrophenyl)amino]ethyl]pyrimidin-3-ium-2,4-dione

Systemtic Name: 3-azanyl-1,3-dimethyl-6-[2-[methyl-(4-nitrophenyl)amino]ethyl]pyrimidin-3-ium-2,4-dione Openeye Name: 3-amino-1,3-dimethyl-6-[2-(N-methyl-4-nitro-anilino)ethyl]pyrimidin-3-ium-2,4-dione CAS Name: 3-amino-1,3-dimethyl-6-[2-(N-methyl-4-nitroanilino)ethyl]pyrimidin-3-ium-2,4-dione IUPAC Name: 3-amino-1,3-dimethyl-6-[2-(N-methyl-4-nitroanilino)ethyl]pyrimidin-3-ium-2,4-dione Traditional Name: 3-amino-1,3-dimethyl-6-[2-(N-methyl-4-nitro-anilino)ethyl]pyrimidin-3-ium-2,4-quinone Formula: C15H20N5O4+ MolecularWeight: 334.3504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)[N+](C1=O)(C)N)CCN(C)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CN1C(=CC(=O)[N+](C1=O)(C)N)CCN(C)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H20N5O4/c1-17(11-4-6-12(7-5-11)19(23)24)9-8-13-10-14(21)20(3,16)15(22)18(13)2/h4-7,10H,8-9,16H2,1-3H3/q+1