5-[3-(4-chloranylphenoxy)-2-oxidanyl-propyl]-6-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 5-[3-(4-chloranylphenoxy)-2-oxidanyl-propyl]-6-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-[3-(4-chlorophenoxy)-2-hydroxy-propyl]-6-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-[3-(4-chlorophenoxy)-2-hydroxypropyl]-6-methyl-1-phenyl-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 5-[3-(4-chlorophenoxy)-2-hydroxypropyl]-6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-[3-(4-chlorophenoxy)-2-hydroxy-propyl]-6-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one Formula: C21H19ClN4O3 MolecularWeight: 410.85356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=NN2C3=CC=CC=C3)C(=O)N1CC(COC4=CC=C(C=C4)Cl)O

Isomeric SMILES

CC1=NC2=C(C=NN2C3=CC=CC=C3)C(=O)N1CC(COC4=CC=C(C=C4)Cl)O

InChI

InChI=1S/C21H19ClN4O3/c1-14-24-20-19(11-23-26(20)16-5-3-2-4-6-16)21(28)25(14)12-17(27)13-29-18-9-7-15(22)8-10-18/h2-11,17,27H,12-13H2,1H3