diethyl (2S)-2-[2-[6-[(phenylmethyl)amino]purin-9-yl]ethanoylamino]pentanedioate

Systemtic Name: diethyl (2S)-2-[2-[6-[(phenylmethyl)amino]purin-9-yl]ethanoylamino]pentanedioate Openeye Name: diethyl (2S)-2-[[2-[6-(benzylamino)purin-9-yl]acetyl]amino]pentanedioate CAS Name: (2S)-2-[[1-oxo-2-[6-[(phenylmethyl)amino]-9-purinyl]ethyl]amino]pentanedioic acid diethyl ester IUPAC Name: diethyl (2S)-2-[[2-[6-(benzylamino)purin-9-yl]acetyl]amino]pentanedioate Traditional Name: (2S)-2-[[2-[6-(benzylamino)purin-9-yl]acetyl]amino]glutaric acid diethyl ester Formula: C23H28N6O5 MolecularWeight: 468.50562

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C(=O)OCC)NC(=O)CN1C=NC2=C1N=CN=C2NCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CC[C@@H](C(=O)OCC)NC(=O)CN1C=NC2=C1N=CN=C2NCC3=CC=CC=C3

InChI

InChI=1S/C23H28N6O5/c1-3-33-19(31)11-10-17(23(32)34-4-2)28-18(30)13-29-15-27-20-21(25-14-26-22(20)29)24-12-16-8-6-5-7-9-16/h5-9,14-15,17H,3-4,10-13H2,1-2H3,(H,28,30)(H,24,25,26)/t17-/m0/s1