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

Systemtic Name: 9-(4-bromophenyl)-3-ethyl-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Openeye Name: 9-(4-bromophenyl)-3-ethyl-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione CAS Name: 9-(4-bromophenyl)-3-ethyl-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione IUPAC Name: 9-(4-bromophenyl)-3-ethyl-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Traditional Name: 9-(4-bromophenyl)-3-ethyl-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-quinone Formula: C18H20BrN5O2 MolecularWeight: 418.2877

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C3N2CC(CN3C4=CC=C(C=C4)Br)C)N(C1=O)C

Isomeric SMILES

CCN1C(=O)C2=C(N=C3N2CC(CN3C4=CC=C(C=C4)Br)C)N(C1=O)C

InChI

InChI=1S/C18H20BrN5O2/c1-4-22-16(25)14-15(21(3)18(22)26)20-17-23(9-11(2)10-24(14)17)13-7-5-12(19)6-8-13/h5-8,11H,4,9-10H2,1-3H3