4-[(6-azanyl-5-nitro-pyrimidin-4-yl)amino]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide

Systemtic Name: 4-[(6-azanyl-5-nitro-pyrimidin-4-yl)amino]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide Openeye Name: 4-[(6-amino-5-nitro-pyrimidin-4-yl)amino]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide CAS Name: 4-[(6-amino-5-nitro-4-pyrimidinyl)amino]-N-(4,6-dimethyl-2-pyrimidinyl)benzenesulfonamide IUPAC Name: 4-[(6-amino-5-nitropyrimidin-4-yl)amino]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide Traditional Name: 4-[(6-amino-5-nitro-pyrimidin-4-yl)amino]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide Formula: C16H16N8O4S MolecularWeight: 416.41444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC3=NC=NC(=C3[N+](=O)[O-])N)C

Isomeric SMILES

CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC3=NC=NC(=C3[N+](=O)[O-])N)C

InChI

InChI=1S/C16H16N8O4S/c1-9-7-10(2)21-16(20-9)23-29(27,28)12-5-3-11(4-6-12)22-15-13(24(25)26)14(17)18-8-19-15/h3-8H,1-2H3,(H,20,21,23)(H3,17,18,19,22)