[4-hexadecanoyloxy-5-(4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-1-yl)oxolan-2-yl]methyl hexadecanoate

Systemtic Name: [4-hexadecanoyloxy-5-(4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-1-yl)oxolan-2-yl]methyl hexadecanoate Openeye Name: [4-hexadecanoyloxy-5-(4-oxo-2H-pyrazolo[3,4-d]pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl hexadecanoate CAS Name: hexadecanoic acid [4-(1-oxohexadecoxy)-5-(4-oxo-2H-pyrazolo[3,4-d]pyrimidin-1-yl)-2-oxolanyl]methyl ester IUPAC Name: [4-hexadecanoyloxy-5-(4-oxo-2H-pyrazolo[3,4-d]pyrimidin-1-yl)oxolan-2-yl]methyl hexadecanoate Traditional Name: palmitic acid [4-hexadecanoyloxy-5-(4-keto-2H-pyrazolo[3,4-d]pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl ester Formula: C42H72N4O6 MolecularWeight: 729.04428

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC1CC(C(O1)N2C3=NC=NC(=O)C3=CN2)OC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC1CC(C(O1)N2C3=NC=NC(=O)C3=CN2)OC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C42H72N4O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-38(47)50-33-35-31-37(42(51-35)46-40-36(32-45-46)41(49)44-34-43-40)52-39(48)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h32,34-35,37,42,45H,3-31,33H2,1-2H3