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

Systemtic Name: 3-[(4-bromophenyl)methyl]-1,7-dimethyl-9-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Openeye Name: 3-[(4-bromophenyl)methyl]-1,7-dimethyl-9-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione CAS Name: 3-[(4-bromophenyl)methyl]-1,7-dimethyl-9-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione IUPAC Name: 3-[(4-bromophenyl)methyl]-1,7-dimethyl-9-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Traditional Name: 3-(4-bromobenzyl)-1,7-dimethyl-9-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-quinone Formula: C25H26BrN5O2 MolecularWeight: 508.41024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C2=NC3=C(N2C1)C(=O)N(C(=O)N3C)CC4=CC=C(C=C4)Br)CCC5=CC=CC=C5

Isomeric SMILES

CC1CN(C2=NC3=C(N2C1)C(=O)N(C(=O)N3C)CC4=CC=C(C=C4)Br)CCC5=CC=CC=C5

InChI

InChI=1S/C25H26BrN5O2/c1-17-14-29(13-12-18-6-4-3-5-7-18)24-27-22-21(30(24)15-17)23(32)31(25(33)28(22)2)16-19-8-10-20(26)11-9-19/h3-11,17H,12-16H2,1-2H3