ethyl 4-[3-(3-butyl-4-oxidanylidene-pyrrolo[2,3-d]pyrimidin-7-yl)propylamino]benzoate

Systemtic Name: ethyl 4-[3-(3-butyl-4-oxidanylidene-pyrrolo[2,3-d]pyrimidin-7-yl)propylamino]benzoate Openeye Name: ethyl 4-[3-(3-butyl-4-oxo-pyrrolo[2,3-d]pyrimidin-7-yl)propylamino]benzoate CAS Name: 4-[3-(3-butyl-4-oxo-7-pyrrolo[2,3-d]pyrimidinyl)propylamino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-(3-butyl-4-oxopyrrolo[2,3-d]pyrimidin-7-yl)propylamino]benzoate Traditional Name: 4-[3-(3-butyl-4-keto-pyrrolo[2,3-d]pyrimidin-7-yl)propylamino]benzoic acid ethyl ester Formula: C22H28N4O3 MolecularWeight: 396.48272

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C(C1=O)C=CN2CCCNC3=CC=C(C=C3)C(=O)OCC

Isomeric SMILES

CCCCN1C=NC2=C(C1=O)C=CN2CCCNC3=CC=C(C=C3)C(=O)OCC

InChI

InChI=1S/C22H28N4O3/c1-3-5-13-26-16-24-20-19(21(26)27)11-15-25(20)14-6-12-23-18-9-7-17(8-10-18)22(28)29-4-2/h7-11,15-16,23H,3-6,12-14H2,1-2H3