[3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 2-(2-ethylbenzimidazol-1-yl)ethanoate

Systemtic Name: [3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 2-(2-ethylbenzimidazol-1-yl)ethanoate Openeye Name: (3-butyl-7-ethyl-2,6-dioxo-purin-8-yl)methyl 2-(2-ethylbenzimidazol-1-yl)acetate CAS Name: 2-(2-ethyl-1-benzimidazolyl)acetic acid (3-butyl-7-ethyl-2,6-dioxo-8-purinyl)methyl ester IUPAC Name: (3-butyl-7-ethyl-2,6-dioxopurin-8-yl)methyl 2-(2-ethylbenzimidazol-1-yl)acetate Traditional Name: 2-(2-ethylbenzimidazol-1-yl)acetic acid (3-butyl-7-ethyl-2,6-diketo-purin-8-yl)methyl ester Formula: C23H28N6O4 MolecularWeight: 452.50622

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)CN3C4=CC=CC=C4N=C3CC)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)CN3C4=CC=CC=C4N=C3CC)CC

InChI

InChI=1S/C23H28N6O4/c1-4-7-12-28-21-20(22(31)26-23(28)32)27(6-3)18(25-21)14-33-19(30)13-29-16-11-9-8-10-15(16)24-17(29)5-2/h8-11H,4-7,12-14H2,1-3H3,(H,26,31,32)