ethyl 4-[2-(2-azanyl-4-oxidanylidene-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoate

Systemtic Name: ethyl 4-[2-(2-azanyl-4-oxidanylidene-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoate Openeye Name: ethyl 4-[2-(2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoate CAS Name: 4-[2-(2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoate Traditional Name: 4-[2-(2-amino-4-keto-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoic acid ethyl ester Formula: C17H18N4O3 MolecularWeight: 326.34982

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)CCC2=CNC3=C2C(=O)N=C(N3)N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CCC2=CNC3=C2C(=O)N=C(N3)N

InChI

InChI=1S/C17H18N4O3/c1-2-24-16(23)11-6-3-10(4-7-11)5-8-12-9-19-14-13(12)15(22)21-17(18)20-14/h3-4,6-7,9H,2,5,8H2,1H3,(H4,18,19,20,21,22)