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

Systemtic Name: 4-[4-[(2-azanyl-5-cyano-4-oxidanylidene-1H-pyrimidin-6-yl)amino]butyl]benzenesulfonic acid Openeye Name: 4-[4-[(2-amino-5-cyano-4-oxo-1H-pyrimidin-6-yl)amino]butyl]benzenesulfonic acid CAS Name: 4-[4-[(2-amino-5-cyano-4-oxo-1H-pyrimidin-6-yl)amino]butyl]benzenesulfonic acid IUPAC Name: 4-[4-[(2-amino-5-cyano-4-oxo-1H-pyrimidin-6-yl)amino]butyl]benzenesulfonic acid Traditional Name: 4-[4-[(2-amino-5-cyano-4-keto-1H-pyrimidin-6-yl)amino]butyl]besylic acid Formula: C15H17N5O4S MolecularWeight: 363.39158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N5O4S/c16-9-12-13(19-15(17)20-14(12)21)18-8-2-1-3-10-4-6-11(7-5-10)25(22,23)24/h4-7H,1-3,8H2,(H,22,23,24)(H4,17,18,19,20,21)