4-methylbenzenesulfonate; 6-[(E)-(1-methylquinolin-1-ium-4-yl)methylideneamino]-1H-pyrimidine-2,4-dione

Systemtic Name: 4-methylbenzenesulfonate; 6-[(E)-(1-methylquinolin-1-ium-4-yl)methylideneamino]-1H-pyrimidine-2,4-dione Openeye Name: 4-methylbenzenesulfonate; 6-[(E)-(1-methylquinolin-1-ium-4-yl)methyleneamino]-1H-pyrimidine-2,4-dione CAS Name: 4-methylbenzenesulfonate; 6-[(E)-(1-methyl-4-quinolin-1-iumyl)methylideneamino]-1H-pyrimidine-2,4-dione IUPAC Name: 4-methylbenzenesulfonate; 6-[(E)-(1-methylquinolin-1-ium-4-yl)methylideneamino]-1H-pyrimidine-2,4-dione Traditional Name: 6-[(E)-(1-methylquinolin-1-ium-4-yl)methyleneamino]uracil tosylate Formula: C22H20N4O5S MolecularWeight: 452.483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=C(C2=CC=CC=C21)C=NC3=CC(=O)NC(=O)N3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=C(C2=CC=CC=C21)/C=N/C3=CC(=O)NC(=O)N3

InChI

InChI=1S/C15H12N4O2.C7H8O3S/c1-19-7-6-10(11-4-2-3-5-12(11)19)9-16-13-8-14(20)18-15(21)17-13;1-6-2-4-7(5-3-6)11(8,9)10/h2-9H,1H3,(H-,17,18,20,21);2-5H,1H3,(H,8,9,10)/b16-9+;