4-[4-[(5-aminocarbonyl-2-azanyl-4-oxidanylidene-1H-pyrimidin-6-yl)amino]butyl]benzenesulfonic acid

Systemtic Name: 4-[4-[(5-aminocarbonyl-2-azanyl-4-oxidanylidene-1H-pyrimidin-6-yl)amino]butyl]benzenesulfonic acid Openeye Name: 4-[4-[(2-amino-5-carbamoyl-4-oxo-1H-pyrimidin-6-yl)amino]butyl]benzenesulfonic acid CAS Name: 4-[4-[(2-amino-5-carbamoyl-4-oxo-1H-pyrimidin-6-yl)amino]butyl]benzenesulfonic acid IUPAC Name: 4-[4-[(2-amino-5-carbamoyl-4-oxo-1H-pyrimidin-6-yl)amino]butyl]benzenesulfonic acid Traditional Name: 4-[4-[(2-amino-5-carbamoyl-4-keto-1H-pyrimidin-6-yl)amino]butyl]besylic acid Formula: C15H19N5O5S MolecularWeight: 381.40686

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCCCNC2=C(C(=O)N=C(N2)N)C(=O)N)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1CCCCNC2=C(C(=O)N=C(N2)N)C(=O)N)S(=O)(=O)O

InChI

InChI=1S/C15H19N5O5S/c16-12(21)11-13(19-15(17)20-14(11)22)18-8-2-1-3-9-4-6-10(7-5-9)26(23,24)25/h4-7H,1-3,8H2,(H2,16,21)(H,23,24,25)(H4,17,18,19,20,22)