5-(4-chlorophenyl)-1-phenyl-6-(4-pyrimidin-4-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 5-(4-chlorophenyl)-1-phenyl-6-(4-pyrimidin-4-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-(4-chlorophenyl)-1-phenyl-6-(4-pyrimidin-4-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-(4-chlorophenyl)-1-phenyl-6-[4-(4-pyrimidinyl)phenyl]-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 5-(4-chlorophenyl)-1-phenyl-6-(4-pyrimidin-4-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-(4-chlorophenyl)-1-phenyl-6-[4-(4-pyrimidyl)phenyl]pyrazolo[3,4-d]pyrimidin-4-one Formula: C27H17ClN6O MolecularWeight: 476.91648

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C(=N3)C4=CC=C(C=C4)C5=NC=NC=C5)C6=CC=C(C=C6)Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C(=N3)C4=CC=C(C=C4)C5=NC=NC=C5)C6=CC=C(C=C6)Cl

InChI

InChI=1S/C27H17ClN6O/c28-20-10-12-21(13-11-20)33-25(19-8-6-18(7-9-19)24-14-15-29-17-30-24)32-26-23(27(33)35)16-31-34(26)22-4-2-1-3-5-22/h1-17H