[2-azanyl-6-(furan-2-yl)-5-nitro-pyrimidin-4-yl] 4-methylbenzenesulfonate

Systemtic Name: [2-azanyl-6-(furan-2-yl)-5-nitro-pyrimidin-4-yl] 4-methylbenzenesulfonate Openeye Name: [2-amino-6-(2-furyl)-5-nitro-pyrimidin-4-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-amino-6-(2-furanyl)-5-nitro-4-pyrimidinyl] ester IUPAC Name: [2-amino-6-(furan-2-yl)-5-nitropyrimidin-4-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-amino-6-(2-furyl)-5-nitro-pyrimidin-4-yl] ester Formula: C15H12N4O6S MolecularWeight: 376.34398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=NC(=NC(=C2[N+](=O)[O-])C3=CC=CO3)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=NC(=NC(=C2[N+](=O)[O-])C3=CC=CO3)N

InChI

InChI=1S/C15H12N4O6S/c1-9-4-6-10(7-5-9)26(22,23)25-14-13(19(20)21)12(17-15(16)18-14)11-3-2-8-24-11/h2-8H,1H3,(H2,16,17,18)