9-(4-bromophenyl)-3-ethyl-1-methyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione

Systemtic Name: 9-(4-bromophenyl)-3-ethyl-1-methyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione Openeye Name: 9-(4-bromophenyl)-3-ethyl-1-methyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione CAS Name: 9-(4-bromophenyl)-3-ethyl-1-methyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione IUPAC Name: 9-(4-bromophenyl)-3-ethyl-1-methyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione Traditional Name: 9-(4-bromophenyl)-3-ethyl-1-methyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-quinone Formula: C17H19BrN5O2+ MolecularWeight: 405.26906

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(NC3=[N+]2CCCN3C4=CC=C(C=C4)Br)N(C1=O)C

Isomeric SMILES

CCN1C(=O)C2=C(NC3=[N+]2CCCN3C4=CC=C(C=C4)Br)N(C1=O)C

InChI

InChI=1S/C17H18BrN5O2/c1-3-21-15(24)13-14(20(2)17(21)25)19-16-22(9-4-10-23(13)16)12-7-5-11(18)6-8-12/h5-8H,3-4,9-10H2,1-2H3/p+1