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

Systemtic Name: 9-(4-bromophenyl)-3-butyl-1-methyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione Openeye Name: 9-(4-bromophenyl)-3-butyl-1-methyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione CAS Name: 9-(4-bromophenyl)-3-butyl-1-methyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione IUPAC Name: 9-(4-bromophenyl)-3-butyl-1-methyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione Traditional Name: 9-(4-bromophenyl)-3-butyl-1-methyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-quinone Formula: C19H23BrN5O2+ MolecularWeight: 433.32222

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(NC3=[N+]2CCCN3C4=CC=C(C=C4)Br)N(C1=O)C

Isomeric SMILES

CCCCN1C(=O)C2=C(NC3=[N+]2CCCN3C4=CC=C(C=C4)Br)N(C1=O)C

InChI

InChI=1S/C19H22BrN5O2/c1-3-4-10-25-17(26)15-16(22(2)19(25)27)21-18-23(11-5-12-24(15)18)14-8-6-13(20)7-9-14/h6-9H,3-5,10-12H2,1-2H3/p+1