4-[2-oxidanylidene-4-(4-oxidanylidene-1,4a-dihydropyrrolo[3,2-d]pyrimidin-7-yl)butyl]benzoic acid

Systemtic Name: 4-[2-oxidanylidene-4-(4-oxidanylidene-1,4a-dihydropyrrolo[3,2-d]pyrimidin-7-yl)butyl]benzoic acid Openeye Name: 4-[2-oxo-4-(4-oxo-1,4a-dihydropyrrolo[3,2-d]pyrimidin-7-yl)butyl]benzoic acid CAS Name: 4-[2-oxo-4-(4-oxo-1,4a-dihydropyrrolo[3,2-d]pyrimidin-7-yl)butyl]benzoic acid IUPAC Name: 4-[2-oxo-4-(4-oxo-1,4a-dihydropyrrolo[3,2-d]pyrimidin-7-yl)butyl]benzoic acid Traditional Name: 4-[2-keto-4-(4-keto-1,4a-dihydropyrrolo[3,2-d]pyrimidin-7-yl)butyl]benzoic acid Formula: C17H15N3O4 MolecularWeight: 325.3187

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(=O)CCC2=C3C(C(=O)N=CN3)N=C2)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CC(=O)CCC2=C3C(C(=O)N=CN3)N=C2)C(=O)O

InChI

InChI=1S/C17H15N3O4/c21-13(7-10-1-3-11(4-2-10)17(23)24)6-5-12-8-18-15-14(12)19-9-20-16(15)22/h1-4,8-9,15H,5-7H2,(H,23,24)(H,19,20,22)