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

Systemtic Name: [3-butyl-7-methyl-2,6-bis(oxidanylidene)purin-8-yl]methyl (2R)-2-phenylbutanoate Openeye Name: (3-butyl-7-methyl-2,6-dioxo-purin-8-yl)methyl (2R)-2-phenylbutanoate CAS Name: (2R)-2-phenylbutanoic acid (3-butyl-7-methyl-2,6-dioxo-8-purinyl)methyl ester IUPAC Name: (3-butyl-7-methyl-2,6-dioxopurin-8-yl)methyl (2R)-2-phenylbutanoate Traditional Name: (2R)-2-phenylbutyric acid (3-butyl-2,6-diketo-7-methyl-purin-8-yl)methyl ester Formula: C21H26N4O4 MolecularWeight: 398.45554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O4/c1-4-6-12-25-18-17(19(26)23-21(25)28)24(3)16(22-18)13-29-20(27)15(5-2)14-10-8-7-9-11-14/h7-11,15H,4-6,12-13H2,1-3H3,(H,23,26,28)/t15-/m1/s1