2-azanylethyl 3-[2-(7H-purin-2-yl)phenyl]propanoate

Systemtic Name: 2-azanylethyl 3-[2-(7H-purin-2-yl)phenyl]propanoate Openeye Name: 2-aminoethyl 3-[2-(7H-purin-2-yl)phenyl]propanoate CAS Name: 3-[2-(7H-purin-2-yl)phenyl]propanoic acid 2-aminoethyl ester IUPAC Name: 2-aminoethyl 3-[2-(7H-purin-2-yl)phenyl]propanoate Traditional Name: 3-[2-(7H-purin-2-yl)phenyl]propionic acid 2-aminoethyl ester Formula: C16H17N5O2 MolecularWeight: 311.33848

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CCC(=O)OCCN)C2=NC=C3C(=N2)N=CN3

Isomeric SMILES

C1=CC=C(C(=C1)CCC(=O)OCCN)C2=NC=C3C(=N2)N=CN3

InChI

InChI=1S/C16H17N5O2/c17-7-8-23-14(22)6-5-11-3-1-2-4-12(11)15-18-9-13-16(21-15)20-10-19-13/h1-4,9-10H,5-8,17H2,(H,18,19,20,21)