4-[[3-butyl-2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]carbamoyl]benzenesulfonic acid

Systemtic Name: 4-[[3-butyl-2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]carbamoyl]benzenesulfonic acid Openeye Name: 4-[(3-butyl-2,4-dioxo-1H-pyrimidin-5-yl)carbamoyl]benzenesulfonic acid CAS Name: 4-[[(3-butyl-2,4-dioxo-1H-pyrimidin-5-yl)amino]-oxomethyl]benzenesulfonic acid IUPAC Name: 4-[(3-butyl-2,4-dioxo-1H-pyrimidin-5-yl)carbamoyl]benzenesulfonic acid Traditional Name: 4-[(3-butyl-2,4-diketo-1H-pyrimidin-5-yl)carbamoyl]besylic acid Formula: C15H17N3O6S MolecularWeight: 367.37698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C(=CNC1=O)NC(=O)C2=CC=C(C=C2)S(=O)(=O)O

Isomeric SMILES

CCCCN1C(=O)C(=CNC1=O)NC(=O)C2=CC=C(C=C2)S(=O)(=O)O

InChI

InChI=1S/C15H17N3O6S/c1-2-3-8-18-14(20)12(9-16-15(18)21)17-13(19)10-4-6-11(7-5-10)25(22,23)24/h4-7,9H,2-3,8H2,1H3,(H,16,21)(H,17,19)(H,22,23,24)