1-decan-4-yl-6-[(3,4-dimethoxyphenyl)methyl]-3-propyl-2H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 1-decan-4-yl-6-[(3,4-dimethoxyphenyl)methyl]-3-propyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-[(3,4-dimethoxyphenyl)methyl]-3-propyl-1-(1-propylheptyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-decan-4-yl-6-[(3,4-dimethoxyphenyl)methyl]-3-propyl-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 1-decan-4-yl-6-[(3,4-dimethoxyphenyl)methyl]-3-propyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 3-propyl-1-(1-propylheptyl)-6-veratryl-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C27H40N4O3 MolecularWeight: 468.6315

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H40N4O3/c1-6-9-10-11-14-20(12-7-2)31-26-25(21(30-31)13-8-3)27(32)29-24(28-26)18-19-15-16-22(33-4)23(17-19)34-5/h15-17,20,30H,6-14,18H2,1-5H3