[3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl (2S)-2-phenoxypropanoate

Systemtic Name: [3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl (2S)-2-phenoxypropanoate Openeye Name: (3-butyl-7-ethyl-2,6-dioxo-purin-8-yl)methyl (2S)-2-phenoxypropanoate CAS Name: (2S)-2-phenoxypropanoic acid (3-butyl-7-ethyl-2,6-dioxo-8-purinyl)methyl ester IUPAC Name: (3-butyl-7-ethyl-2,6-dioxopurin-8-yl)methyl (2S)-2-phenoxypropanoate Traditional Name: (2S)-2-phenoxypropionic acid (3-butyl-7-ethyl-2,6-diketo-purin-8-yl)methyl ester Formula: C21H26N4O5 MolecularWeight: 414.45494

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C(C)OC3=CC=CC=C3)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)[C@H](C)OC3=CC=CC=C3)CC

InChI

InChI=1S/C21H26N4O5/c1-4-6-12-25-18-17(19(26)23-21(25)28)24(5-2)16(22-18)13-29-20(27)14(3)30-15-10-8-7-9-11-15/h7-11,14H,4-6,12-13H2,1-3H3,(H,23,26,28)/t14-/m0/s1