3-methyl-6-(2-propoxyphenyl)-2-(pyridin-2-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 3-methyl-6-(2-propoxyphenyl)-2-(pyridin-2-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 3-methyl-6-(2-propoxyphenyl)-2-(2-pyridylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 3-methyl-6-(2-propoxyphenyl)-2-(2-pyridinylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 3-methyl-6-(2-propoxyphenyl)-2-(pyridin-2-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 3-methyl-6-(2-propoxyphenyl)-2-(2-pyridylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C21H21N5O2 MolecularWeight: 375.42374

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C2=NC(=O)C3=C(N(NC3=N2)CC4=CC=CC=N4)C

Isomeric SMILES

CCCOC1=CC=CC=C1C2=NC(=O)C3=C(N(NC3=N2)CC4=CC=CC=N4)C

InChI

InChI=1S/C21H21N5O2/c1-3-12-28-17-10-5-4-9-16(17)19-23-20-18(21(27)24-19)14(2)26(25-20)13-15-8-6-7-11-22-15/h4-11H,3,12-13H2,1-2H3,(H,23,24,25,27)