9-(4-fluorophenyl)-1-methyl-3-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione

Systemtic Name: 9-(4-fluorophenyl)-1-methyl-3-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Openeye Name: 9-(4-fluorophenyl)-1-methyl-3-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione CAS Name: 9-(4-fluorophenyl)-1-methyl-3-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione IUPAC Name: 9-(4-fluorophenyl)-1-methyl-3-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Traditional Name: 9-(4-fluorophenyl)-1-methyl-3-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-quinone Formula: C23H22FN5O2 MolecularWeight: 419.451483

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CCC3=CC=CC=C3)N4CCCN(C4=N2)C5=CC=C(C=C5)F

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CCC3=CC=CC=C3)N4CCCN(C4=N2)C5=CC=C(C=C5)F

InChI

InChI=1S/C23H22FN5O2/c1-26-20-19(21(30)29(23(26)31)15-12-16-6-3-2-4-7-16)28-14-5-13-27(22(28)25-20)18-10-8-17(24)9-11-18/h2-4,6-11H,5,12-15H2,1H3