N4,N6-bis(4-methylsulfonylphenyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4,N6-bis(4-methylsulfonylphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4,N6-bis(4-methylsulfonylphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4,N6-bis(4-methylsulfonylphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N,6-N-bis(4-methylsulfonylphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(4-mesylanilino)-5-nitro-pyrimidin-4-yl]-(4-mesylphenyl)amine Formula: C18H17N5O6S2 MolecularWeight: 463.48748

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C18H17N5O6S2/c1-30(26,27)14-7-3-12(4-8-14)21-17-16(23(24)25)18(20-11-19-17)22-13-5-9-15(10-6-13)31(2,28)29/h3-11H,1-2H3,(H2,19,20,21,22)