5-[2-(3-chloranylphenoxy)ethyl]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 5-[2-(3-chloranylphenoxy)ethyl]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-[2-(3-chlorophenoxy)ethyl]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-[2-(3-chlorophenoxy)ethyl]-1-methyl-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 5-[2-(3-chlorophenoxy)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-[2-(3-chlorophenoxy)ethyl]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-one Formula: C14H13ClN4O2 MolecularWeight: 304.73162

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=O)N(C=N2)CCOC3=CC(=CC=C3)Cl

Isomeric SMILES

CN1C2=C(C=N1)C(=O)N(C=N2)CCOC3=CC(=CC=C3)Cl

InChI

InChI=1S/C14H13ClN4O2/c1-18-13-12(8-17-18)14(20)19(9-16-13)5-6-21-11-4-2-3-10(15)7-11/h2-4,7-9H,5-6H2,1H3