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

Systemtic Name: [3-butyl-7-methyl-2,6-bis(oxidanylidene)purin-8-yl]methyl (2S,3R)-3-methyl-2-phenyl-pentanoate Openeye Name: (3-butyl-7-methyl-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-methyl-2,6-dioxo-8-purinyl)methyl ester IUPAC Name: (3-butyl-7-methyl-2,6-dioxopurin-8-yl)methyl (2S,3R)-3-methyl-2-phenylpentanoate Traditional Name: (2S,3R)-3-methyl-2-phenyl-valeric acid (3-butyl-2,6-diketo-7-methyl-purin-8-yl)methyl ester Formula: C23H30N4O4 MolecularWeight: 426.5087

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C23H30N4O4/c1-5-7-13-27-20-19(21(28)25-23(27)30)26(4)17(24-20)14-31-22(29)18(15(3)6-2)16-11-9-8-10-12-16/h8-12,15,18H,5-7,13-14H2,1-4H3,(H,25,28,30)/t15-,18+/m1/s1