ethyl 3-[(3-methyl-1-nonan-3-yl-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methyl]benzoate

Systemtic Name: ethyl 3-[(3-methyl-1-nonan-3-yl-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methyl]benzoate Openeye Name: ethyl 3-[[1-(1-ethylheptyl)-3-methyl-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl]methyl]benzoate CAS Name: 3-[(3-methyl-1-nonan-3-yl-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-[(3-methyl-1-nonan-3-yl-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methyl]benzoate Traditional Name: 3-[[1-(1-ethylheptyl)-4-keto-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl]methyl]benzoic acid ethyl ester Formula: C25H34N4O3 MolecularWeight: 438.56246

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC)N1C2=NC(=NC(=O)C2=C(N1)C)CC3=CC=CC(=C3)C(=O)OCC

Isomeric SMILES

CCCCCCC(CC)N1C2=NC(=NC(=O)C2=C(N1)C)CC3=CC=CC(=C3)C(=O)OCC

InChI

InChI=1S/C25H34N4O3/c1-5-8-9-10-14-20(6-2)29-23-22(17(4)28-29)24(30)27-21(26-23)16-18-12-11-13-19(15-18)25(31)32-7-3/h11-13,15,20,28H,5-10,14,16H2,1-4H3