3-(hydroxymethyl)-6-(2-propoxyphenyl)-1-propyl-2H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 3-(hydroxymethyl)-6-(2-propoxyphenyl)-1-propyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 3-(hydroxymethyl)-6-(2-propoxyphenyl)-1-propyl-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 3-(hydroxymethyl)-6-(2-propoxyphenyl)-1-propyl-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 3-(hydroxymethyl)-6-(2-propoxyphenyl)-1-propyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 3-methylol-6-(2-propoxyphenyl)-1-propyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C18H22N4O3 MolecularWeight: 342.39228

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=NC(=NC(=O)C2=C(N1)CO)C3=CC=CC=C3OCCC

Isomeric SMILES

CCCN1C2=NC(=NC(=O)C2=C(N1)CO)C3=CC=CC=C3OCCC

InChI

InChI=1S/C18H22N4O3/c1-3-9-22-17-15(13(11-23)21-22)18(24)20-16(19-17)12-7-5-6-8-14(12)25-10-4-2/h5-8,21,23H,3-4,9-11H2,1-2H3