2-[4-[[2,4-bis(azanyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methylamino]phenyl]carbonylpentanedioic acid

Systemtic Name: 2-[4-[[2,4-bis(azanyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methylamino]phenyl]carbonylpentanedioic acid Openeye Name: 2-[4-[(2,4-diamino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methylamino]benzoyl]pentanedioic acid CAS Name: 2-[[4-[(2,4-diamino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methylamino]phenyl]-oxomethyl]pentanedioic acid IUPAC Name: 2-[4-[(2,4-diamino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methylamino]benzoyl]pentanedioic acid Traditional Name: 2-[4-[(2,4-diamino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methylamino]benzoyl]glutaric acid Formula: C19H20N6O5 MolecularWeight: 412.3993

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N6O5/c20-16-14-10(8-23-17(14)25-19(21)24-16)7-22-11-3-1-9(2-4-11)15(28)12(18(29)30)5-6-13(26)27/h1-4,8,12,22H,5-7H2,(H,26,27)(H,29,30)(H5,20,21,23,24,25)