4-[(6-azanyl-5-nitro-pyrimidin-4-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide

Systemtic Name: 4-[(6-azanyl-5-nitro-pyrimidin-4-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide Openeye Name: 4-[(6-amino-5-nitro-pyrimidin-4-yl)amino]-N-thiazol-2-yl-benzenesulfonamide CAS Name: 4-[(6-amino-5-nitro-4-pyrimidinyl)amino]-N-(2-thiazolyl)benzenesulfonamide IUPAC Name: 4-[(6-amino-5-nitropyrimidin-4-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide Traditional Name: 4-[(6-amino-5-nitro-pyrimidin-4-yl)amino]-N-thiazol-2-yl-benzenesulfonamide Formula: C13H11N7O4S2 MolecularWeight: 393.40094

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=NC=NC(=C2[N+](=O)[O-])N)S(=O)(=O)NC3=NC=CS3

Isomeric SMILES

C1=CC(=CC=C1NC2=NC=NC(=C2[N+](=O)[O-])N)S(=O)(=O)NC3=NC=CS3

InChI

InChI=1S/C13H11N7O4S2/c14-11-10(20(21)22)12(17-7-16-11)18-8-1-3-9(4-2-8)26(23,24)19-13-15-5-6-25-13/h1-7H,(H,15,19)(H3,14,16,17,18)