2-methoxy-6-methyl-3-[methyl-(phenylmethyl)carbamoyl]-4-(3-nitrophenyl)-4H-pyrimidine-5-carboxylic acid

Systemtic Name: 2-methoxy-6-methyl-3-[methyl-(phenylmethyl)carbamoyl]-4-(3-nitrophenyl)-4H-pyrimidine-5-carboxylic acid Openeye Name: 3-[benzyl(methyl)carbamoyl]-2-methoxy-6-methyl-4-(3-nitrophenyl)-4H-pyrimidine-5-carboxylic acid CAS Name: 2-methoxy-6-methyl-3-[[methyl-(phenylmethyl)amino]-oxomethyl]-4-(3-nitrophenyl)-4H-pyrimidine-5-carboxylic acid IUPAC Name: 3-[benzyl(methyl)carbamoyl]-2-methoxy-6-methyl-4-(3-nitrophenyl)-4H-pyrimidine-5-carboxylic acid Traditional Name: 3-[benzyl(methyl)carbamoyl]-2-methoxy-6-methyl-4-(3-nitrophenyl)-4H-pyrimidine-5-carboxylic acid Formula: C22H22N4O6 MolecularWeight: 438.43328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N(C(=N1)OC)C(=O)N(C)CC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(C(N(C(=N1)OC)C(=O)N(C)CC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C22H22N4O6/c1-14-18(20(27)28)19(16-10-7-11-17(12-16)26(30)31)25(21(23-14)32-3)22(29)24(2)13-15-8-5-4-6-9-15/h4-12,19H,13H2,1-3H3,(H,27,28)