ethyl 4-(4-oxidanylidene-1,7-dihydropyrrolo[2,3-d]pyrimidin-6-yl)benzoate

Systemtic Name: ethyl 4-(4-oxidanylidene-1,7-dihydropyrrolo[2,3-d]pyrimidin-6-yl)benzoate Openeye Name: ethyl 4-(4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-6-yl)benzoate CAS Name: 4-(4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-6-yl)benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-6-yl)benzoate Traditional Name: 4-(4-keto-1,7-dihydropyrrolo[2,3-d]pyrimidin-6-yl)benzoic acid ethyl ester Formula: C15H13N3O3 MolecularWeight: 283.28202

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C2=CC3=C(N2)NC=NC3=O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C2=CC3=C(N2)NC=NC3=O

InChI

InChI=1S/C15H13N3O3/c1-2-21-15(20)10-5-3-9(4-6-10)12-7-11-13(18-12)16-8-17-14(11)19/h3-8H,2H2,1H3,(H2,16,17,18,19)