diethyl 2-[11-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]undecyl]-2-undecyl-propanedioate

Systemtic Name: diethyl 2-[11-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]undecyl]-2-undecyl-propanedioate Openeye Name: diethyl 2-[11-(3,7-dimethyl-2,6-dioxo-purin-1-yl)undecyl]-2-undecyl-propanedioate CAS Name: 2-[11-(3,7-dimethyl-2,6-dioxo-1-purinyl)undecyl]-2-undecylpropanedioic acid diethyl ester IUPAC Name: diethyl 2-[11-(3,7-dimethyl-2,6-dioxopurin-1-yl)undecyl]-2-undecylpropanedioate Traditional Name: 2-[11-(2,6-diketo-3,7-dimethyl-purin-1-yl)undecyl]-2-undecyl-malonic acid diethyl ester Formula: C36H62N4O6 MolecularWeight: 646.90068

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CCCCCCCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)(C(=O)OCC)C(=O)OCC

Isomeric SMILES

CCCCCCCCCCCC(CCCCCCCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)(C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C36H62N4O6/c1-6-9-10-11-12-14-17-20-23-26-36(33(42)45-7-2,34(43)46-8-3)27-24-21-18-15-13-16-19-22-25-28-40-32(41)30-31(37-29-38(30)4)39(5)35(40)44/h29H,6-28H2,1-5H3