cyclododecyl 3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanoate

Systemtic Name: cyclododecyl 3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanoate Openeye Name: cyclododecyl 3-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)propanoate CAS Name: 3-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)propanoic acid cyclododecyl ester IUPAC Name: cyclododecyl 3-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)propanoate Traditional Name: 3-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)propionic acid cyclododecyl ester Formula: C21H32N4O3 MolecularWeight: 388.50378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)OC3CCCCCCCCCCC3

Isomeric SMILES

CN1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)OC3CCCCCCCCCCC3

InChI

InChI=1S/C21H32N4O3/c1-24-20-18(15-23-24)21(27)25(16-22-20)14-13-19(26)28-17-11-9-7-5-3-2-4-6-8-10-12-17/h15-17H,2-14H2,1H3