4-(6-chloranyl-4-oxidanylidene-7-pyridin-3-yl-1H-pyrrolo[3,2-d]pyrimidin-5-yl)butanoate

Systemtic Name: 4-(6-chloranyl-4-oxidanylidene-7-pyridin-3-yl-1H-pyrrolo[3,2-d]pyrimidin-5-yl)butanoate Openeye Name: 4-[6-chloro-4-oxo-7-(3-pyridyl)-1H-pyrrolo[3,2-d]pyrimidin-5-yl]butanoate CAS Name: 4-[6-chloro-4-oxo-7-(3-pyridinyl)-1H-pyrrolo[3,2-d]pyrimidin-5-yl]butanoate IUPAC Name: 4-(6-chloro-4-oxo-7-pyridin-3-yl-1H-pyrrolo[3,2-d]pyrimidin-5-yl)butanoate Traditional Name: 4-[6-chloro-4-keto-7-(3-pyridyl)-1H-pyrrolo[3,2-d]pyrimidin-5-yl]butyrate Formula: C15H12ClN4O3- MolecularWeight: 331.73378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13ClN4O3/c16-14-11(9-3-1-5-17-7-9)12-13(15(23)19-8-18-12)20(14)6-2-4-10(21)22/h1,3,5,7-8H,2,4,6H2,(H,21,22)(H,18,19,23)/p-1