3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)ethanoate

Systemtic Name: 3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)ethanoate Openeye Name: 3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propyl 2-(5-isopropyl-6-methyl-benzofuran-3-yl)acetate CAS Name: 2-(6-methyl-5-propan-2-yl-3-benzofuranyl)acetic 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-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetate Traditional Name: 2-(5-isopropyl-6-methyl-benzofuran-3-yl)acetic acid 3-(2,6-diketo-3,7-dimethyl-purin-1-yl)propyl ester Formula: C24H28N4O5 MolecularWeight: 452.50292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)OC=C2CC(=O)OCCCN3C(=O)C4=C(N=CN4C)N(C3=O)C)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=C1)OC=C2CC(=O)OCCCN3C(=O)C4=C(N=CN4C)N(C3=O)C)C(C)C

InChI

InChI=1S/C24H28N4O5/c1-14(2)17-11-18-16(12-33-19(18)9-15(17)3)10-20(29)32-8-6-7-28-23(30)21-22(25-13-26(21)4)27(5)24(28)31/h9,11-14H,6-8,10H2,1-5H3