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

Systemtic Name: 9-(4-bromophenyl)-1,7-dimethyl-3-pentyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Openeye Name: 9-(4-bromophenyl)-1,7-dimethyl-3-pentyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione CAS Name: 9-(4-bromophenyl)-1,7-dimethyl-3-pentyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione IUPAC Name: 9-(4-bromophenyl)-1,7-dimethyl-3-pentyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Traditional Name: 3-amyl-9-(4-bromophenyl)-1,7-dimethyl-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:

CCCCCN1C(=O)C2=C(N=C3N2CC(CN3C4=CC=C(C=C4)Br)C)N(C1=O)C

Isomeric SMILES

CCCCCN1C(=O)C2=C(N=C3N2CC(CN3C4=CC=C(C=C4)Br)C)N(C1=O)C

InChI

InChI=1S/C21H26BrN5O2/c1-4-5-6-11-25-19(28)17-18(24(3)21(25)29)23-20-26(12-14(2)13-27(17)20)16-9-7-15(22)8-10-16/h7-10,14H,4-6,11-13H2,1-3H3