N-[11-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]-2-propanoyl-undecyl]-2-methyl-tetradecanamide

Systemtic Name: N-[11-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]-2-propanoyl-undecyl]-2-methyl-tetradecanamide Openeye Name: N-[11-(3,7-dimethyl-2,6-dioxo-purin-1-yl)-2-propanoyl-undecyl]-2-methyl-tetradecanamide CAS Name: N-[11-(3,7-dimethyl-2,6-dioxo-1-purinyl)-2-(1-oxopropyl)undecyl]-2-methyltetradecanamide IUPAC Name: N-[11-(3,7-dimethyl-2,6-dioxopurin-1-yl)-2-propanoylundecyl]-2-methyltetradecanamide Traditional Name: N-[11-(2,6-diketo-3,7-dimethyl-purin-1-yl)-2-propionyl-undecyl]-2-methyl-myristamide Formula: C36H63N5O4 MolecularWeight: 629.91652

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(C)C(=O)NCC(CCCCCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)C(=O)CC

Isomeric SMILES

CCCCCCCCCCCCC(C)C(=O)NCC(CCCCCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)C(=O)CC

InChI

InChI=1S/C36H63N5O4/c1-6-8-9-10-11-12-13-15-18-21-24-29(3)34(43)37-27-30(31(42)7-2)25-22-19-16-14-17-20-23-26-41-35(44)32-33(38-28-39(32)4)40(5)36(41)45/h28-30H,6-27H2,1-5H3,(H,37,43)