ethyl 4-[(2-azanyl-6-ethyl-4-oxidanylidene-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)sulfanyl]benzoate

Systemtic Name: ethyl 4-[(2-azanyl-6-ethyl-4-oxidanylidene-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)sulfanyl]benzoate Openeye Name: ethyl 4-[(2-amino-6-ethyl-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)sulfanyl]benzoate CAS Name: 4-[(2-amino-6-ethyl-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)thio]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2-amino-6-ethyl-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)sulfanyl]benzoate Traditional Name: 4-[(2-amino-6-ethyl-4-keto-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)thio]benzoic acid ethyl ester Formula: C17H18N4O3S MolecularWeight: 358.41482

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(N1)NC(=NC2=O)N)SC3=CC=C(C=C3)C(=O)OCC

Isomeric SMILES

CCC1=C(C2=C(N1)NC(=NC2=O)N)SC3=CC=C(C=C3)C(=O)OCC

InChI

InChI=1S/C17H18N4O3S/c1-3-11-13(12-14(19-11)20-17(18)21-15(12)22)25-10-7-5-9(6-8-10)16(23)24-4-2/h5-8H,3-4H2,1-2H3,(H4,18,19,20,21,22)