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

Systemtic Name: [3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl (2S,3R)-3-methyl-2-phenyl-pentanoate Openeye Name: (3-butyl-7-ethyl-2,6-dioxo-purin-8-yl)methyl (2S,3R)-3-methyl-2-phenyl-pentanoate CAS Name: (2S,3R)-3-methyl-2-phenylpentanoic 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,3R)-3-methyl-2-phenylpentanoate Traditional Name: (2S,3R)-3-methyl-2-phenyl-valeric acid (3-butyl-7-ethyl-2,6-diketo-purin-8-yl)methyl ester Formula: C24H32N4O4 MolecularWeight: 440.53528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H32N4O4/c1-5-8-14-28-21-20(22(29)26-24(28)31)27(7-3)18(25-21)15-32-23(30)19(16(4)6-2)17-12-10-9-11-13-17/h9-13,16,19H,5-8,14-15H2,1-4H3,(H,26,29,31)/t16-,19+/m1/s1