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

Systemtic Name: 9-(4-bromophenyl)-3-hexyl-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Openeye Name: 9-(4-bromophenyl)-3-hexyl-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione CAS Name: 9-(4-bromophenyl)-3-hexyl-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione IUPAC Name: 9-(4-bromophenyl)-3-hexyl-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Traditional Name: 9-(4-bromophenyl)-3-hexyl-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-quinone Formula: C21H26BrN5O2 MolecularWeight: 460.36744

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=C(N=C3N2CCCN3C4=CC=C(C=C4)Br)N(C1=O)C

Isomeric SMILES

CCCCCCN1C(=O)C2=C(N=C3N2CCCN3C4=CC=C(C=C4)Br)N(C1=O)C

InChI

InChI=1S/C21H26BrN5O2/c1-3-4-5-6-12-27-19(28)17-18(24(2)21(27)29)23-20-25(13-7-14-26(17)20)16-10-8-15(22)9-11-16/h8-11H,3-7,12-14H2,1-2H3