ethyl 2-[11-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]undecanoylamino]ethanoate

Systemtic Name: ethyl 2-[11-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]undecanoylamino]ethanoate Openeye Name: ethyl 2-[11-(3,7-dimethyl-2,6-dioxo-purin-1-yl)undecanoylamino]acetate CAS Name: 2-[[11-(3,7-dimethyl-2,6-dioxo-1-purinyl)-1-oxoundecyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[11-(3,7-dimethyl-2,6-dioxopurin-1-yl)undecanoylamino]acetate Traditional Name: 2-[11-(2,6-diketo-3,7-dimethyl-purin-1-yl)undecanoylamino]acetic acid ethyl ester Formula: C22H35N5O5 MolecularWeight: 449.5438

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)CCCCCCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C

Isomeric SMILES

CCOC(=O)CNC(=O)CCCCCCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C

InChI

InChI=1S/C22H35N5O5/c1-4-32-18(29)15-23-17(28)13-11-9-7-5-6-8-10-12-14-27-21(30)19-20(24-16-25(19)2)26(3)22(27)31/h16H,4-15H2,1-3H3,(H,23,28)