5-[5-ethynyl-2-(2-methylpropoxy)pyridin-3-yl]-2-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one

Systemtic Name: 5-[5-ethynyl-2-(2-methylpropoxy)pyridin-3-yl]-2-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 5-(5-ethynyl-2-isobutoxy-3-pyridyl)-2-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 5-[5-ethynyl-2-(2-methylpropoxy)-3-pyridinyl]-2-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one IUPAC Name: 5-[5-ethynyl-2-(2-methylpropoxy)pyridin-3-yl]-2-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 5-(5-ethynyl-2-isobutoxy-3-pyridyl)-2-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Formula: C20H23N5O2 MolecularWeight: 365.42892

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C2C(=NN1C)C(=O)N=C(N2)C3=C(N=CC(=C3)C#C)OCC(C)C

Isomeric SMILES

CCCC1=C2C(=NN1C)C(=O)N=C(N2)C3=C(N=CC(=C3)C#C)OCC(C)C

InChI

InChI=1S/C20H23N5O2/c1-6-8-15-16-17(24-25(15)5)19(26)23-18(22-16)14-9-13(7-2)10-21-20(14)27-11-12(3)4/h2,9-10,12H,6,8,11H2,1,3-5H3,(H,22,23,26)