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

Systemtic Name: 4-[(2-azanyl-6-ethyl-4-oxidanylidene-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)sulfanyl]benzoic acid Openeye Name: 4-[(2-amino-6-ethyl-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)sulfanyl]benzoic acid CAS Name: 4-[(2-amino-6-ethyl-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)thio]benzoic acid IUPAC Name: 4-[(2-amino-6-ethyl-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)sulfanyl]benzoic acid Traditional Name: 4-[(2-amino-6-ethyl-4-keto-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)thio]benzoic acid Formula: C15H14N4O3S MolecularWeight: 330.36166

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(N1)NC(=NC2=O)N)SC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCC1=C(C2=C(N1)NC(=NC2=O)N)SC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C15H14N4O3S/c1-2-9-11(10-12(17-9)18-15(16)19-13(10)20)23-8-5-3-7(4-6-8)14(21)22/h3-6H,2H2,1H3,(H,21,22)(H4,16,17,18,19,20)