1-decan-4-yl-3-ethyl-6-[(3,4,5-trimethoxyphenyl)methyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 1-decan-4-yl-3-ethyl-6-[(3,4,5-trimethoxyphenyl)methyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 3-ethyl-1-(1-propylheptyl)-6-[(3,4,5-trimethoxyphenyl)methyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-decan-4-yl-3-ethyl-6-[(3,4,5-trimethoxyphenyl)methyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 1-decan-4-yl-3-ethyl-6-[(3,4,5-trimethoxyphenyl)methyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 3-ethyl-1-(1-propylheptyl)-6-(3,4,5-trimethoxybenzyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C27H40N4O4 MolecularWeight: 484.6309

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H40N4O4/c1-7-10-11-12-14-19(13-8-2)31-26-24(20(9-3)30-31)27(32)29-23(28-26)17-18-15-21(33-4)25(35-6)22(16-18)34-5/h15-16,19,30H,7-14,17H2,1-6H3