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

Systemtic Name: ethyl 4-(6-chloranyl-4-oxidanylidene-7-pyridin-3-yl-1H-pyrrolo[3,2-d]pyrimidin-5-yl)butanoate Openeye Name: ethyl 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]butanoic acid ethyl ester IUPAC Name: ethyl 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]butyric acid ethyl ester Formula: C17H17ClN4O3 MolecularWeight: 360.79488

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCN1C2=C(C(=C1Cl)C3=CN=CC=C3)NC=NC2=O

Isomeric SMILES

CCOC(=O)CCCN1C2=C(C(=C1Cl)C3=CN=CC=C3)NC=NC2=O

InChI

InChI=1S/C17H17ClN4O3/c1-2-25-12(23)6-4-8-22-15-14(20-10-21-17(15)24)13(16(22)18)11-5-3-7-19-9-11/h3,5,7,9-10H,2,4,6,8H2,1H3,(H,20,21,24)