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

Systemtic Name: 4-[3-(2-azanyl-4-oxidanylidene-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)propyl]benzoic acid Openeye Name: 4-[3-(2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)propyl]benzoic acid CAS Name: 4-[3-(2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)propyl]benzoic acid IUPAC Name: 4-[3-(2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)propyl]benzoic acid Traditional Name: 4-[3-(2-amino-4-keto-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)propyl]benzoic acid Formula: C16H16N4O3 MolecularWeight: 312.32324

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCCC2=CNC3=C2C(=O)N=C(N3)N)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CCCC2=CNC3=C2C(=O)N=C(N3)N)C(=O)O

InChI

InChI=1S/C16H16N4O3/c17-16-19-13-12(14(21)20-16)11(8-18-13)3-1-2-9-4-6-10(7-5-9)15(22)23/h4-8H,1-3H2,(H,22,23)(H4,17,18,19,20,21)