2-azanyl-3-(dimethylcarbamoyl)-6-methyl-4-(3-nitrophenyl)-4H-pyrimidine-5-carboxylic acid

Systemtic Name: 2-azanyl-3-(dimethylcarbamoyl)-6-methyl-4-(3-nitrophenyl)-4H-pyrimidine-5-carboxylic acid Openeye Name: 2-amino-3-(dimethylcarbamoyl)-6-methyl-4-(3-nitrophenyl)-4H-pyrimidine-5-carboxylic acid CAS Name: 2-amino-3-[dimethylamino(oxo)methyl]-6-methyl-4-(3-nitrophenyl)-4H-pyrimidine-5-carboxylic acid IUPAC Name: 2-amino-3-(dimethylcarbamoyl)-6-methyl-4-(3-nitrophenyl)-4H-pyrimidine-5-carboxylic acid Traditional Name: 2-amino-3-(dimethylcarbamoyl)-6-methyl-4-(3-nitrophenyl)-4H-pyrimidine-5-carboxylic acid Formula: C15H17N5O5 MolecularWeight: 347.32598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N(C(=N1)N)C(=O)N(C)C)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(C(N(C(=N1)N)C(=O)N(C)C)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C15H17N5O5/c1-8-11(13(21)22)12(9-5-4-6-10(7-9)20(24)25)19(14(16)17-8)15(23)18(2)3/h4-7,12H,1-3H3,(H2,16,17)(H,21,22)