ethyl 2-[[9-(1-hydroxyethyl)purin-6-yl]amino]benzoate

Systemtic Name: ethyl 2-[[9-(1-hydroxyethyl)purin-6-yl]amino]benzoate Openeye Name: ethyl 2-[[9-(1-hydroxyethyl)purin-6-yl]amino]benzoate CAS Name: 2-[[9-(1-hydroxyethyl)-6-purinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[9-(1-hydroxyethyl)purin-6-yl]amino]benzoate Traditional Name: 2-[[9-(1-hydroxyethyl)purin-6-yl]amino]benzoic acid ethyl ester Formula: C16H17N5O3 MolecularWeight: 327.33788

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC2=NC=NC3=C2N=CN3C(C)O

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC2=NC=NC3=C2N=CN3C(C)O

InChI

InChI=1S/C16H17N5O3/c1-3-24-16(23)11-6-4-5-7-12(11)20-14-13-15(18-8-17-14)21(9-19-13)10(2)22/h4-10,22H,3H2,1-2H3,(H,17,18,20)