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

Systemtic Name: 3-methyl-1-(phenylmethyl)-6-(2-propoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 1-benzyl-3-methyl-6-(2-propoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 3-methyl-1-(phenylmethyl)-6-(2-propoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 1-benzyl-3-methyl-6-(2-propoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 1-benzyl-3-methyl-6-(2-propoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C22H22N4O2 MolecularWeight: 374.43568

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C2=NC(=O)C3=C(NN(C3=N2)CC4=CC=CC=C4)C

Isomeric SMILES

CCCOC1=CC=CC=C1C2=NC(=O)C3=C(NN(C3=N2)CC4=CC=CC=C4)C

InChI

InChI=1S/C22H22N4O2/c1-3-13-28-18-12-8-7-11-17(18)20-23-21-19(22(27)24-20)15(2)25-26(21)14-16-9-5-4-6-10-16/h4-12,25H,3,13-14H2,1-2H3