4-(4-oxidanylidene-7-pyridin-3-yl-1H-pyrrolo[3,2-d]pyrimidin-5-yl)butanoate

Systemtic Name: 4-(4-oxidanylidene-7-pyridin-3-yl-1H-pyrrolo[3,2-d]pyrimidin-5-yl)butanoate Openeye Name: 4-[4-oxo-7-(3-pyridyl)-1H-pyrrolo[3,2-d]pyrimidin-5-yl]butanoate CAS Name: 4-[4-oxo-7-(3-pyridinyl)-1H-pyrrolo[3,2-d]pyrimidin-5-yl]butanoate IUPAC Name: 4-(4-oxo-7-pyridin-3-yl-1H-pyrrolo[3,2-d]pyrimidin-5-yl)butanoate Traditional Name: 4-[4-keto-7-(3-pyridyl)-1H-pyrrolo[3,2-d]pyrimidin-5-yl]butyrate Formula: C15H13N4O3- MolecularWeight: 297.28872

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C2=CN(C3=C2NC=NC3=O)CCCC(=O)[O-]

Isomeric SMILES

C1=CC(=CN=C1)C2=CN(C3=C2NC=NC3=O)CCCC(=O)[O-]

InChI

InChI=1S/C15H14N4O3/c20-12(21)4-2-6-19-8-11(10-3-1-5-16-7-10)13-14(19)15(22)18-9-17-13/h1,3,5,7-9H,2,4,6H2,(H,20,21)(H,17,18,22)/p-1