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

Systemtic Name: 4-[(6-azanyl-5-nitro-pyrimidin-4-yl)amino]-N-pyrimidin-2-yl-benzenesulfonamide Openeye Name: 4-[(6-amino-5-nitro-pyrimidin-4-yl)amino]-N-pyrimidin-2-yl-benzenesulfonamide CAS Name: 4-[(6-amino-5-nitro-4-pyrimidinyl)amino]-N-(2-pyrimidinyl)benzenesulfonamide IUPAC Name: 4-[(6-amino-5-nitropyrimidin-4-yl)amino]-N-pyrimidin-2-ylbenzenesulfonamide Traditional Name: 4-[(6-amino-5-nitro-pyrimidin-4-yl)amino]-N-(2-pyrimidyl)benzenesulfonamide Formula: C14H12N8O4S MolecularWeight: 388.36128

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)NC3=NC=NC(=C3[N+](=O)[O-])N

Isomeric SMILES

C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)NC3=NC=NC(=C3[N+](=O)[O-])N

InChI

InChI=1S/C14H12N8O4S/c15-12-11(22(23)24)13(19-8-18-12)20-9-2-4-10(5-3-9)27(25,26)21-14-16-6-1-7-17-14/h1-8H,(H,16,17,21)(H3,15,18,19,20)