4-[[4-methyl-6-[methyl(phenyl)amino]-5-nitro-pyrimidin-2-yl]amino]benzenesulfonamide

Systemtic Name: 4-[[4-methyl-6-[methyl(phenyl)amino]-5-nitro-pyrimidin-2-yl]amino]benzenesulfonamide Openeye Name: 4-[[4-methyl-6-(N-methylanilino)-5-nitro-pyrimidin-2-yl]amino]benzenesulfonamide CAS Name: 4-[[4-methyl-6-(N-methylanilino)-5-nitro-2-pyrimidinyl]amino]benzenesulfonamide IUPAC Name: 4-[[4-methyl-6-(N-methylanilino)-5-nitropyrimidin-2-yl]amino]benzenesulfonamide Traditional Name: 4-[[4-methyl-6-(N-methylanilino)-5-nitro-pyrimidin-2-yl]amino]benzenesulfonamide Formula: C18H18N6O4S MolecularWeight: 414.43832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)NC2=CC=C(C=C2)S(=O)(=O)N)N(C)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NC(=N1)NC2=CC=C(C=C2)S(=O)(=O)N)N(C)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H18N6O4S/c1-12-16(24(25)26)17(23(2)14-6-4-3-5-7-14)22-18(20-12)21-13-8-10-15(11-9-13)29(19,27)28/h3-11H,1-2H3,(H2,19,27,28)(H,20,21,22)