2-chloranyl-4-[3-[(3-nitrophenyl)sulfonylamino]propylamino]pyrimidine-5-carboxylic acid

Systemtic Name: 2-chloranyl-4-[3-[(3-nitrophenyl)sulfonylamino]propylamino]pyrimidine-5-carboxylic acid Openeye Name: 2-chloro-4-[3-[(3-nitrophenyl)sulfonylamino]propylamino]pyrimidine-5-carboxylic acid CAS Name: 2-chloro-4-[3-[(3-nitrophenyl)sulfonylamino]propylamino]-5-pyrimidinecarboxylic acid IUPAC Name: 2-chloro-4-[3-[(3-nitrophenyl)sulfonylamino]propylamino]pyrimidine-5-carboxylic acid Traditional Name: 2-chloro-4-[3-[(3-nitrophenyl)sulfonylamino]propylamino]pyrimidine-5-carboxylic acid Formula: C14H14ClN5O6S MolecularWeight: 415.80886

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)NCCCNC2=NC(=NC=C2C(=O)O)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)NCCCNC2=NC(=NC=C2C(=O)O)Cl)[N+](=O)[O-]

InChI

InChI=1S/C14H14ClN5O6S/c15-14-17-8-11(13(21)22)12(19-14)16-5-2-6-18-27(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)