6-[bis(4-fluorophenyl)methyl]-3-piperazin-1-yl-1H-purin-2-one

Systemtic Name: 6-[bis(4-fluorophenyl)methyl]-3-piperazin-1-yl-1H-purin-2-one Openeye Name: 6-[bis(4-fluorophenyl)methyl]-3-piperazin-1-yl-1H-purin-2-one CAS Name: 6-[bis(4-fluorophenyl)methyl]-3-(1-piperazinyl)-1H-purin-2-one IUPAC Name: 6-[bis(4-fluorophenyl)methyl]-3-piperazin-1-yl-1H-purin-2-one Traditional Name: 6-[bis(4-fluorophenyl)methyl]-3-piperazino-1H-purin-2-one Formula: C22H20F2N6O MolecularWeight: 422.430606

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)N2C3=NC=NC3=C(NC2=O)C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F

Isomeric SMILES

C1CN(CCN1)N2C3=NC=NC3=C(NC2=O)C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F

InChI

InChI=1S/C22H20F2N6O/c23-16-5-1-14(2-6-16)18(15-3-7-17(24)8-4-15)19-20-21(27-13-26-20)30(22(31)28-19)29-11-9-25-10-12-29/h1-8,13,18,25H,9-12H2,(H,28,31)