3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl (3R)-3-phenylbutanoate

Systemtic Name: 3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl (3R)-3-phenylbutanoate Openeye Name: 3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propyl (3R)-3-phenylbutanoate CAS Name: (3R)-3-phenylbutanoic acid 3-(3,7-dimethyl-2,6-dioxo-1-purinyl)propyl ester IUPAC Name: 3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl (3R)-3-phenylbutanoate Traditional Name: (3R)-3-phenylbutyric acid 3-(2,6-diketo-3,7-dimethyl-purin-1-yl)propyl ester Formula: C20H24N4O4 MolecularWeight: 384.42896

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)C3=CC=CC=C3

Isomeric SMILES

C[C@H](CC(=O)OCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)C3=CC=CC=C3

InChI

InChI=1S/C20H24N4O4/c1-14(15-8-5-4-6-9-15)12-16(25)28-11-7-10-24-19(26)17-18(21-13-22(17)2)23(3)20(24)27/h4-6,8-9,13-14H,7,10-12H2,1-3H3/t14-/m1/s1