3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 2,4,6-trimethylbenzoate

Systemtic Name: 3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 2,4,6-trimethylbenzoate Openeye Name: 3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propyl 2,4,6-trimethylbenzoate CAS Name: 2,4,6-trimethylbenzoic acid 3-(3,7-dimethyl-2,6-dioxo-1-purinyl)propyl ester IUPAC Name: 3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl 2,4,6-trimethylbenzoate Traditional Name: 2,4,6-trimethylbenzoic 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:

CC1=CC(=C(C(=C1)C)C(=O)OCCCN2C(=O)C3=C(N=CN3C)N(C2=O)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C(=O)OCCCN2C(=O)C3=C(N=CN3C)N(C2=O)C)C

InChI

InChI=1S/C20H24N4O4/c1-12-9-13(2)15(14(3)10-12)19(26)28-8-6-7-24-18(25)16-17(21-11-22(16)4)23(5)20(24)27/h9-11H,6-8H2,1-5H3