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

Systemtic Name: 3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 2-phenylbutanoate Openeye Name: 3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propyl 2-phenylbutanoate CAS Name: 2-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 2-phenylbutanoate Traditional Name: 2-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:

CCC(C1=CC=CC=C1)C(=O)OCCCN2C(=O)C3=C(N=CN3C)N(C2=O)C

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)OCCCN2C(=O)C3=C(N=CN3C)N(C2=O)C

InChI

InChI=1S/C20H24N4O4/c1-4-15(14-9-6-5-7-10-14)19(26)28-12-8-11-24-18(25)16-17(21-13-22(16)2)23(3)20(24)27/h5-7,9-10,13,15H,4,8,11-12H2,1-3H3