ethyl 4-[3-(2-butyl-4-oxidanylidene-1H-pyrrolo[2,3-d]pyrimidin-7-yl)propylamino]benzoate

Systemtic Name: ethyl 4-[3-(2-butyl-4-oxidanylidene-1H-pyrrolo[2,3-d]pyrimidin-7-yl)propylamino]benzoate Openeye Name: ethyl 4-[3-(2-butyl-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-7-yl)propylamino]benzoate CAS Name: 4-[3-(2-butyl-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-7-yl)propylamino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-(2-butyl-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-7-yl)propylamino]benzoate Traditional Name: 4-[3-(2-butyl-4-keto-1H-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:

CCCCC1=NC(=O)C2=C(N1)N(C=C2)CCCNC3=CC=C(C=C3)C(=O)OCC

Isomeric SMILES

CCCCC1=NC(=O)C2=C(N1)N(C=C2)CCCNC3=CC=C(C=C3)C(=O)OCC

InChI

InChI=1S/C22H28N4O3/c1-3-5-7-19-24-20-18(21(27)25-19)12-15-26(20)14-6-13-23-17-10-8-16(9-11-17)22(28)29-4-2/h8-12,15,23H,3-7,13-14H2,1-2H3,(H,24,25,27)