4-[2-(6-azanyl-4-oxidanylidene-7H-pyrrolo[2,3-d]pyrimidin-3-yl)ethyl]benzoic acid

Systemtic Name: 4-[2-(6-azanyl-4-oxidanylidene-7H-pyrrolo[2,3-d]pyrimidin-3-yl)ethyl]benzoic acid Openeye Name: 4-[2-(6-amino-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)ethyl]benzoic acid CAS Name: 4-[2-(6-amino-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)ethyl]benzoic acid IUPAC Name: 4-[2-(6-amino-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)ethyl]benzoic acid Traditional Name: 4-[2-(6-amino-4-keto-7H-pyrrolo[2,3-d]pyrimidin-3-yl)ethyl]benzoic acid Formula: C15H14N4O3 MolecularWeight: 298.29666

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCN2C=NC3=C(C2=O)C=C(N3)N)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CCN2C=NC3=C(C2=O)C=C(N3)N)C(=O)O

InChI

InChI=1S/C15H14N4O3/c16-12-7-11-13(18-12)17-8-19(14(11)20)6-5-9-1-3-10(4-2-9)15(21)22/h1-4,7-8,18H,5-6,16H2,(H,21,22)