propan-2-yl 2-[6-[(phenylmethyl)amino]purin-9-yl]ethanoate

Systemtic Name: propan-2-yl 2-[6-[(phenylmethyl)amino]purin-9-yl]ethanoate Openeye Name: isopropyl 2-[6-(benzylamino)purin-9-yl]acetate CAS Name: 2-[6-[(phenylmethyl)amino]-9-purinyl]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[6-(benzylamino)purin-9-yl]acetate Traditional Name: 2-[6-(benzylamino)purin-9-yl]acetic acid isopropyl ester Formula: C17H19N5O2 MolecularWeight: 325.36506

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CN1C=NC2=C1N=CN=C2NCC3=CC=CC=C3

Isomeric SMILES

CC(C)OC(=O)CN1C=NC2=C1N=CN=C2NCC3=CC=CC=C3

InChI

InChI=1S/C17H19N5O2/c1-12(2)24-14(23)9-22-11-21-15-16(19-10-20-17(15)22)18-8-13-6-4-3-5-7-13/h3-7,10-12H,8-9H2,1-2H3,(H,18,19,20)