5-[(2-azanyl-4-oxidanylidene-pyrrolo[2,3-d]pyrimidin-5-yl)methylamino]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[(2-azanyl-4-oxidanylidene-pyrrolo[2,3-d]pyrimidin-5-yl)methylamino]-2-oxidanyl-benzoic acid Openeye Name: 5-[(2-amino-4-oxo-pyrrolo[2,3-d]pyrimidin-5-yl)methylamino]-2-hydroxy-benzoic acid CAS Name: 5-[(2-amino-4-oxo-5-pyrrolo[2,3-d]pyrimidinyl)methylamino]-2-hydroxybenzoic acid IUPAC Name: 5-[(2-amino-4-oxopyrrolo[2,3-d]pyrimidin-5-yl)methylamino]-2-hydroxybenzoic acid Traditional Name: 5-[(2-amino-4-keto-pyrrolo[2,3-d]pyrimidin-5-yl)methylamino]-2-hydroxy-benzoic acid Formula: C14H11N5O4 MolecularWeight: 313.26824

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NCC2=C3C(=NC(=NC3=O)N)N=C2)C(=O)O)O

Isomeric SMILES

C1=CC(=C(C=C1NCC2=C3C(=NC(=NC3=O)N)N=C2)C(=O)O)O

InChI

InChI=1S/C14H11N5O4/c15-14-18-11-10(12(21)19-14)6(5-17-11)4-16-7-1-2-9(20)8(3-7)13(22)23/h1-3,5,16,20H,4H2,(H,22,23)(H2,15,19,21)