1-(2-chloranyl-6-methyl-phenyl)-3-ethyl-6-[(4-hydroxyphenyl)methyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 1-(2-chloranyl-6-methyl-phenyl)-3-ethyl-6-[(4-hydroxyphenyl)methyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 1-(2-chloro-6-methyl-phenyl)-3-ethyl-6-[(4-hydroxyphenyl)methyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-(2-chloro-6-methylphenyl)-3-ethyl-6-[(4-hydroxyphenyl)methyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 1-(2-chloro-6-methylphenyl)-3-ethyl-6-[(4-hydroxyphenyl)methyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 1-(2-chloro-6-methyl-phenyl)-3-ethyl-6-(4-hydroxybenzyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C21H19ClN4O2 MolecularWeight: 394.85416

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=NC(=NC2=O)CC3=CC=C(C=C3)O)N(N1)C4=C(C=CC=C4Cl)C

Isomeric SMILES

CCC1=C2C(=NC(=NC2=O)CC3=CC=C(C=C3)O)N(N1)C4=C(C=CC=C4Cl)C

InChI

InChI=1S/C21H19ClN4O2/c1-3-16-18-20(26(25-16)19-12(2)5-4-6-15(19)22)23-17(24-21(18)28)11-13-7-9-14(27)10-8-13/h4-10,25,27H,3,11H2,1-2H3