[2-chloranyl-4-[3-[(3-nitrophenyl)sulfonylamino]propylamino]pyrimidin-5-yl] hydrogen carbonate

Systemtic Name: [2-chloranyl-4-[3-[(3-nitrophenyl)sulfonylamino]propylamino]pyrimidin-5-yl] hydrogen carbonate Openeye Name: [2-chloro-4-[3-[(3-nitrophenyl)sulfonylamino]propylamino]pyrimidin-5-yl] hydrogen carbonate CAS Name: carbonic acid [2-chloro-4-[3-[(3-nitrophenyl)sulfonylamino]propylamino]-5-pyrimidinyl] ester IUPAC Name: [2-chloro-4-[3-[(3-nitrophenyl)sulfonylamino]propylamino]pyrimidin-5-yl] hydrogen carbonate Traditional Name: carbonic acid [2-chloro-4-[3-[(3-nitrophenyl)sulfonylamino]propylamino]pyrimidin-5-yl] ester Formula: C14H14ClN5O7S MolecularWeight: 431.80826

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)NCCCNC2=NC(=NC=C2OC(=O)O)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)NCCCNC2=NC(=NC=C2OC(=O)O)Cl)[N+](=O)[O-]

InChI

InChI=1S/C14H14ClN5O7S/c15-13-17-8-11(27-14(21)22)12(19-13)16-5-2-6-18-28(25,26)10-4-1-3-9(7-10)20(23)24/h1,3-4,7-8,18H,2,5-6H2,(H,21,22)(H,16,17,19)