4-oxidanylidene-6-(2-propoxyphenyl)-1-propyl-2H-pyrazolo[3,4-d]pyrimidine-3-carbaldehyde

Systemtic Name: 4-oxidanylidene-6-(2-propoxyphenyl)-1-propyl-2H-pyrazolo[3,4-d]pyrimidine-3-carbaldehyde Openeye Name: 4-oxo-6-(2-propoxyphenyl)-1-propyl-2H-pyrazolo[3,4-d]pyrimidine-3-carbaldehyde CAS Name: 4-oxo-6-(2-propoxyphenyl)-1-propyl-2H-pyrazolo[3,4-d]pyrimidine-3-carboxaldehyde IUPAC Name: 4-oxo-6-(2-propoxyphenyl)-1-propyl-2H-pyrazolo[3,4-d]pyrimidine-3-carbaldehyde Traditional Name: 4-keto-6-(2-propoxyphenyl)-1-propyl-2H-pyrazolo[3,4-d]pyrimidine-3-carbaldehyde Formula: C18H20N4O3 MolecularWeight: 340.3764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O3/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/h5-8,11,21H,3-4,9-10H2,1-2H3