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

Systemtic Name: 5-[3-(4-chloranylphenoxy)propyl]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-[3-(4-chlorophenoxy)propyl]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-[3-(4-chlorophenoxy)propyl]-1-phenyl-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 5-[3-(4-chlorophenoxy)propyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-[3-(4-chlorophenoxy)propyl]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one Formula: C20H17ClN4O2 MolecularWeight: 380.82758

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)CCCOC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)CCCOC4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H17ClN4O2/c21-15-7-9-17(10-8-15)27-12-4-11-24-14-22-19-18(20(24)26)13-23-25(19)16-5-2-1-3-6-16/h1-3,5-10,13-14H,4,11-12H2