3-heptyl-1,7-dimethyl-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione

Systemtic Name: 3-heptyl-1,7-dimethyl-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione Openeye Name: 3-heptyl-1,7-dimethyl-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione CAS Name: 3-heptyl-1,7-dimethyl-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione IUPAC Name: 3-heptyl-1,7-dimethyl-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione Traditional Name: 3-heptyl-1,7-dimethyl-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-quinone Formula: C23H31N5O2+2 MolecularWeight: 409.52454

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C(=O)C2=[N+]3CC(CN(C3=NC2=[N+](C1=O)C)C4=CC=CC=C4)C

Isomeric SMILES

CCCCCCCN1C(=O)C2=[N+]3CC(CN(C3=NC2=[N+](C1=O)C)C4=CC=CC=C4)C

InChI

InChI=1S/C23H31N5O2/c1-4-5-6-7-11-14-26-21(29)19-20(25(3)23(26)30)24-22-27(15-17(2)16-28(19)22)18-12-9-8-10-13-18/h8-10,12-13,17H,4-7,11,14-16H2,1-3H3/q+2