9-(4-bromophenyl)-3-decyl-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione

Systemtic Name: 9-(4-bromophenyl)-3-decyl-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione Openeye Name: 9-(4-bromophenyl)-3-decyl-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione CAS Name: 9-(4-bromophenyl)-3-decyl-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione IUPAC Name: 9-(4-bromophenyl)-3-decyl-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione Traditional Name: 9-(4-bromophenyl)-3-decyl-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-quinone Formula: C26H36BrN5O2+2 MolecularWeight: 530.50034

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCN1C(=O)C2=[N+]3CC(CN(C3=NC2=[N+](C1=O)C)C4=CC=C(C=C4)Br)C

Isomeric SMILES

CCCCCCCCCCN1C(=O)C2=[N+]3CC(CN(C3=NC2=[N+](C1=O)C)C4=CC=C(C=C4)Br)C

InChI

InChI=1S/C26H36BrN5O2/c1-4-5-6-7-8-9-10-11-16-30-24(33)22-23(29(3)26(30)34)28-25-31(17-19(2)18-32(22)25)21-14-12-20(27)13-15-21/h12-15,19H,4-11,16-18H2,1-3H3/q+2