2-(4-oxidanylidene-7-phenyl-2-sulfanylidene-1,5-dihydropyrrolo[3,2-d]pyrimidin-3-yl)ethanoic acid

Systemtic Name: 2-(4-oxidanylidene-7-phenyl-2-sulfanylidene-1,5-dihydropyrrolo[3,2-d]pyrimidin-3-yl)ethanoic acid Openeye Name: 2-(4-oxo-7-phenyl-2-thioxo-1,5-dihydropyrrolo[3,2-d]pyrimidin-3-yl)acetic acid CAS Name: 2-(4-oxo-7-phenyl-2-sulfanylidene-1,5-dihydropyrrolo[3,2-d]pyrimidin-3-yl)acetic acid IUPAC Name: 2-(4-oxo-7-phenyl-2-sulfanylidene-1,5-dihydropyrrolo[3,2-d]pyrimidin-3-yl)acetic acid Traditional Name: 2-(4-keto-7-phenyl-2-thioxo-1,5-dihydropyrrolo[3,2-d]pyrimidin-3-yl)acetic acid Formula: C14H11N3O3S MolecularWeight: 301.32044

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CNC3=C2NC(=S)N(C3=O)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CNC3=C2NC(=S)N(C3=O)CC(=O)O

InChI

InChI=1S/C14H11N3O3S/c18-10(19)7-17-13(20)12-11(16-14(17)21)9(6-15-12)8-4-2-1-3-5-8/h1-6,15H,7H2,(H,16,21)(H,18,19)