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

Systemtic Name: 4-[(2-azanyl-4-oxidanylidene-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)methylamino]benzoic acid Openeye Name: 4-[(2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)methylamino]benzoic acid CAS Name: 4-[(2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)methylamino]benzoic acid IUPAC Name: 4-[(2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)methylamino]benzoic acid Traditional Name: 4-[(2-amino-4-keto-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)methylamino]benzoic acid Formula: C14H13N5O3 MolecularWeight: 299.28472

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NCC2=CNC3=C2C(=O)N=C(N3)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NCC2=CNC3=C2C(=O)N=C(N3)N

InChI

InChI=1S/C14H13N5O3/c15-14-18-11-10(12(20)19-14)8(6-17-11)5-16-9-3-1-7(2-4-9)13(21)22/h1-4,6,16H,5H2,(H,21,22)(H4,15,17,18,19,20)