4-[[5-[(4-fluorophenyl)methyl]-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl]amino]benzenesulfonic acid

Systemtic Name: 4-[[5-[(4-fluorophenyl)methyl]-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl]amino]benzenesulfonic acid Openeye Name: 4-[[5-[(4-fluorophenyl)methyl]-6-methyl-4-oxo-1H-pyrimidin-2-yl]amino]benzenesulfonic acid CAS Name: 4-[[5-[(4-fluorophenyl)methyl]-6-methyl-4-oxo-1H-pyrimidin-2-yl]amino]benzenesulfonic acid IUPAC Name: 4-[[5-[(4-fluorophenyl)methyl]-6-methyl-4-oxo-1H-pyrimidin-2-yl]amino]benzenesulfonic acid Traditional Name: 4-[[5-(4-fluorobenzyl)-4-keto-6-methyl-1H-pyrimidin-2-yl]amino]besylic acid Formula: C18H16FN3O4S MolecularWeight: 389.400743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)NC2=CC=C(C=C2)S(=O)(=O)O)CC3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(C(=O)N=C(N1)NC2=CC=C(C=C2)S(=O)(=O)O)CC3=CC=C(C=C3)F

InChI

InChI=1S/C18H16FN3O4S/c1-11-16(10-12-2-4-13(19)5-3-12)17(23)22-18(20-11)21-14-6-8-15(9-7-14)27(24,25)26/h2-9H,10H2,1H3,(H,24,25,26)(H2,20,21,22,23)