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

Systemtic Name: 5-[3-(4-chloranylphenoxy)propyl]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-[3-(4-chlorophenoxy)propyl]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-[3-(4-chlorophenoxy)propyl]-1-methyl-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 5-[3-(4-chlorophenoxy)propyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-[3-(4-chlorophenoxy)propyl]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-one Formula: C15H15ClN4O2 MolecularWeight: 318.7582

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=O)N(C=N2)CCCOC3=CC=C(C=C3)Cl

Isomeric SMILES

CN1C2=C(C=N1)C(=O)N(C=N2)CCCOC3=CC=C(C=C3)Cl

InChI

InChI=1S/C15H15ClN4O2/c1-19-14-13(9-18-19)15(21)20(10-17-14)7-2-8-22-12-5-3-11(16)4-6-12/h3-6,9-10H,2,7-8H2,1H3