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

Systemtic Name: ethyl 4-(7-iodanyl-4-oxidanylidene-1H-pyrrolo[3,2-d]pyrimidin-5-yl)butanoate Openeye Name: ethyl 4-(7-iodo-4-oxo-1H-pyrrolo[3,2-d]pyrimidin-5-yl)butanoate CAS Name: 4-(7-iodo-4-oxo-1H-pyrrolo[3,2-d]pyrimidin-5-yl)butanoic acid ethyl ester IUPAC Name: ethyl 4-(7-iodo-4-oxo-1H-pyrrolo[3,2-d]pyrimidin-5-yl)butanoate Traditional Name: 4-(7-iodo-4-keto-1H-pyrrolo[3,2-d]pyrimidin-5-yl)butyric acid ethyl ester Formula: C12H14IN3O3 MolecularWeight: 375.16233

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCN1C=C(C2=C1C(=O)N=CN2)I

Isomeric SMILES

CCOC(=O)CCCN1C=C(C2=C1C(=O)N=CN2)I

InChI

InChI=1S/C12H14IN3O3/c1-2-19-9(17)4-3-5-16-6-8(13)10-11(16)12(18)15-7-14-10/h6-7H,2-5H2,1H3,(H,14,15,18)