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

Systemtic Name: 3-[(4-bromophenyl)methyl]-1-methyl-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Openeye Name: 3-[(4-bromophenyl)methyl]-1-methyl-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione CAS Name: 3-[(4-bromophenyl)methyl]-1-methyl-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione IUPAC Name: 3-[(4-bromophenyl)methyl]-1-methyl-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Traditional Name: 3-(4-bromobenzyl)-1-methyl-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-quinone Formula: C22H20BrN5O2 MolecularWeight: 466.3305

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CC3=CC=C(C=C3)Br)N4CCCN(C4=N2)C5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CC3=CC=C(C=C3)Br)N4CCCN(C4=N2)C5=CC=CC=C5

InChI

InChI=1S/C22H20BrN5O2/c1-25-19-18(20(29)28(22(25)30)14-15-8-10-16(23)11-9-15)27-13-5-12-26(21(27)24-19)17-6-3-2-4-7-17/h2-4,6-11H,5,12-14H2,1H3