methyl 4-[3-(4-azanyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)propyl]benzoate

Systemtic Name: methyl 4-[3-(4-azanyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)propyl]benzoate Openeye Name: methyl 4-[3-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)propyl]benzoate CAS Name: 4-[3-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)propyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)propyl]benzoate Traditional Name: 4-[3-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)propyl]benzoic acid methyl ester Formula: C17H18N4O2 MolecularWeight: 310.35042

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CCCC2=CNC3=C2C(=NC=N3)N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CCCC2=CNC3=C2C(=NC=N3)N

InChI

InChI=1S/C17H18N4O2/c1-23-17(22)12-7-5-11(6-8-12)3-2-4-13-9-19-16-14(13)15(18)20-10-21-16/h5-10H,2-4H2,1H3,(H3,18,19,20,21)