ethyl 4-[[1,3-dimethyl-7-octadecyl-2,6-bis(oxidanylidene)purin-8-yl]methyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[[1,3-dimethyl-7-octadecyl-2,6-bis(oxidanylidene)purin-8-yl]methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(1,3-dimethyl-7-octadecyl-2,6-dioxo-purin-8-yl)methyl]piperazine-1-carboxylate CAS Name: 4-[(1,3-dimethyl-7-octadecyl-2,6-dioxo-8-purinyl)methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(1,3-dimethyl-7-octadecyl-2,6-dioxopurin-8-yl)methyl]piperazine-1-carboxylate Traditional Name: 4-[(2,6-diketo-1,3-dimethyl-7-stearyl-purin-8-yl)methyl]piperazine-1-carboxylic acid ethyl ester Formula: C33H58N6O4 MolecularWeight: 602.85142

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C(=O)OCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C(=O)OCC

InChI

InChI=1S/C33H58N6O4/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-39-28(27-37-23-25-38(26-24-37)33(42)43-6-2)34-30-29(39)31(40)36(4)32(41)35(30)3/h5-27H2,1-4H3