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

Systemtic Name: ethyl 2-[11-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]undecanoylamino]propanoate Openeye Name: ethyl 2-[11-(3,7-dimethyl-2,6-dioxo-purin-1-yl)undecanoylamino]propanoate CAS Name: 2-[[11-(3,7-dimethyl-2,6-dioxo-1-purinyl)-1-oxoundecyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 2-[11-(3,7-dimethyl-2,6-dioxopurin-1-yl)undecanoylamino]propanoate Traditional Name: 2-[11-(2,6-diketo-3,7-dimethyl-purin-1-yl)undecanoylamino]propionic acid ethyl ester Formula: C23H37N5O5 MolecularWeight: 463.57038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H37N5O5/c1-5-33-22(31)17(2)25-18(29)14-12-10-8-6-7-9-11-13-15-28-21(30)19-20(24-16-26(19)3)27(4)23(28)32/h16-17H,5-15H2,1-4H3,(H,25,29)