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

Systemtic Name: ethyl 4-[3-(3-methyl-4-oxidanylidene-pyrrolo[2,3-d]pyrimidin-7-yl)propylamino]benzoate Openeye Name: ethyl 4-[3-(3-methyl-4-oxo-pyrrolo[2,3-d]pyrimidin-7-yl)propylamino]benzoate CAS Name: 4-[3-(3-methyl-4-oxo-7-pyrrolo[2,3-d]pyrimidinyl)propylamino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-(3-methyl-4-oxopyrrolo[2,3-d]pyrimidin-7-yl)propylamino]benzoate Traditional Name: 4-[3-(4-keto-3-methyl-pyrrolo[2,3-d]pyrimidin-7-yl)propylamino]benzoic acid ethyl ester Formula: C19H22N4O3 MolecularWeight: 354.40298

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NCCCN2C=CC3=C2N=CN(C3=O)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NCCCN2C=CC3=C2N=CN(C3=O)C

InChI

InChI=1S/C19H22N4O3/c1-3-26-19(25)14-5-7-15(8-6-14)20-10-4-11-23-12-9-16-17(23)21-13-22(2)18(16)24/h5-9,12-13,20H,3-4,10-11H2,1-2H3