4-[(2-azanyl-6-methyl-4-oxidanylidene-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)sulfanyl]-2-fluoranyl-benzoic acid

Systemtic Name: 4-[(2-azanyl-6-methyl-4-oxidanylidene-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)sulfanyl]-2-fluoranyl-benzoic acid Openeye Name: 4-[(2-amino-6-methyl-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)sulfanyl]-2-fluoro-benzoic acid CAS Name: 4-[(2-amino-6-methyl-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)thio]-2-fluorobenzoic acid IUPAC Name: 4-[(2-amino-6-methyl-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)sulfanyl]-2-fluorobenzoic acid Traditional Name: 4-[(2-amino-4-keto-6-methyl-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)thio]-2-fluoro-benzoic acid Formula: C14H11FN4O3S MolecularWeight: 334.325543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1)NC(=NC2=O)N)SC3=CC(=C(C=C3)C(=O)O)F

Isomeric SMILES

CC1=C(C2=C(N1)NC(=NC2=O)N)SC3=CC(=C(C=C3)C(=O)O)F

InChI

InChI=1S/C14H11FN4O3S/c1-5-10(9-11(17-5)18-14(16)19-12(9)20)23-6-2-3-7(13(21)22)8(15)4-6/h2-4H,1H3,(H,21,22)(H4,16,17,18,19,20)