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

Systemtic Name: 2-azanyl-6-methyl-4-(3-nitrophenyl)-3-(phenylsulfonyl)-4H-pyrimidine-5-carboxylic acid Openeye Name: 2-amino-3-(benzenesulfonyl)-6-methyl-4-(3-nitrophenyl)-4H-pyrimidine-5-carboxylic acid CAS Name: 2-amino-3-(benzenesulfonyl)-6-methyl-4-(3-nitrophenyl)-4H-pyrimidine-5-carboxylic acid IUPAC Name: 2-amino-3-(benzenesulfonyl)-6-methyl-4-(3-nitrophenyl)-4H-pyrimidine-5-carboxylic acid Traditional Name: 2-amino-3-besyl-6-methyl-4-(3-nitrophenyl)-4H-pyrimidine-5-carboxylic acid Formula: C18H16N4O6S MolecularWeight: 416.40784

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C18H16N4O6S/c1-11-15(17(23)24)16(12-6-5-7-13(10-12)22(25)26)21(18(19)20-11)29(27,28)14-8-3-2-4-9-14/h2-10,16H,1H3,(H2,19,20)(H,23,24)