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

Systemtic Name: 4-[(6-azanyl-4-oxidanylidene-7H-pyrrolo[2,3-d]pyrimidin-3-yl)methylamino]benzoic acid Openeye Name: 4-[(6-amino-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)methylamino]benzoic acid CAS Name: 4-[(6-amino-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)methylamino]benzoic acid IUPAC Name: 4-[(6-amino-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)methylamino]benzoic acid Traditional Name: 4-[(6-amino-4-keto-7H-pyrrolo[2,3-d]pyrimidin-3-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)NCN2C=NC3=C(C2=O)C=C(N3)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NCN2C=NC3=C(C2=O)C=C(N3)N

InChI

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