methyl 2-[2-[6-(phenylmethoxycarbonylamino)purin-9-yl]ethylamino]ethanoate

Systemtic Name: methyl 2-[2-[6-(phenylmethoxycarbonylamino)purin-9-yl]ethylamino]ethanoate Openeye Name: methyl 2-[2-[6-(benzyloxycarbonylamino)purin-9-yl]ethylamino]acetate CAS Name: 2-[2-[6-(phenylmethoxycarbonylamino)-9-purinyl]ethylamino]acetic acid methyl ester IUPAC Name: methyl 2-[2-[6-(phenylmethoxycarbonylamino)purin-9-yl]ethylamino]acetate Traditional Name: 2-[2-[6-(benzyloxycarbonylamino)purin-9-yl]ethylamino]acetic acid methyl ester Formula: C18H20N6O4 MolecularWeight: 384.3892

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNCCN1C=NC2=C1N=CN=C2NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

COC(=O)CNCCN1C=NC2=C1N=CN=C2NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C18H20N6O4/c1-27-14(25)9-19-7-8-24-12-22-15-16(20-11-21-17(15)24)23-18(26)28-10-13-5-3-2-4-6-13/h2-6,11-12,19H,7-10H2,1H3,(H,20,21,23,26)