2-methoxy-6-methyl-4-(3-nitrophenyl)-3-(phenylsulfonyl)-4H-pyrimidine-5-carboxylic acid

Systemtic Name: 2-methoxy-6-methyl-4-(3-nitrophenyl)-3-(phenylsulfonyl)-4H-pyrimidine-5-carboxylic acid Openeye Name: 3-(benzenesulfonyl)-2-methoxy-6-methyl-4-(3-nitrophenyl)-4H-pyrimidine-5-carboxylic acid CAS Name: 3-(benzenesulfonyl)-2-methoxy-6-methyl-4-(3-nitrophenyl)-4H-pyrimidine-5-carboxylic acid IUPAC Name: 3-(benzenesulfonyl)-2-methoxy-6-methyl-4-(3-nitrophenyl)-4H-pyrimidine-5-carboxylic acid Traditional Name: 3-besyl-2-methoxy-6-methyl-4-(3-nitrophenyl)-4H-pyrimidine-5-carboxylic acid Formula: C19H17N3O7S MolecularWeight: 431.41918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N3O7S/c1-12-16(18(23)24)17(13-7-6-8-14(11-13)22(25)26)21(19(20-12)29-2)30(27,28)15-9-4-3-5-10-15/h3-11,17H,1-2H3,(H,23,24)