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

Systemtic Name: 3-butyl-9-(4-dimethylaminophenyl)-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione Openeye Name: 3-butyl-9-(4-dimethylaminophenyl)-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione CAS Name: 3-butyl-9-(4-dimethylaminophenyl)-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione IUPAC Name: 3-butyl-9-(4-dimethylaminophenyl)-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione Traditional Name: 3-butyl-9-(4-dimethylaminophenyl)-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-quinone Formula: C22H30N6O2+2 MolecularWeight: 410.5126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=[N+]3CC(CN(C3=NC2=[N+](C1=O)C)C4=CC=C(C=C4)N(C)C)C

Isomeric SMILES

CCCCN1C(=O)C2=[N+]3CC(CN(C3=NC2=[N+](C1=O)C)C4=CC=C(C=C4)N(C)C)C

InChI

InChI=1S/C22H30N6O2/c1-6-7-12-26-20(29)18-19(25(5)22(26)30)23-21-27(13-15(2)14-28(18)21)17-10-8-16(9-11-17)24(3)4/h8-11,15H,6-7,12-14H2,1-5H3/q+2