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

Systemtic Name: 9-(4-dimethylaminophenyl)-1-methyl-3-pentyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione Openeye Name: 9-(4-dimethylaminophenyl)-1-methyl-3-pentyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione CAS Name: 9-(4-dimethylaminophenyl)-1-methyl-3-pentyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione IUPAC Name: 9-(4-dimethylaminophenyl)-1-methyl-3-pentyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione Traditional Name: 3-amyl-9-(4-dimethylaminophenyl)-1-methyl-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:

CCCCCN1C(=O)C2=[N+]3CCCN(C3=NC2=[N+](C1=O)C)C4=CC=C(C=C4)N(C)C

Isomeric SMILES

CCCCCN1C(=O)C2=[N+]3CCCN(C3=NC2=[N+](C1=O)C)C4=CC=C(C=C4)N(C)C

InChI

InChI=1S/C22H30N6O2/c1-5-6-7-13-28-20(29)18-19(25(4)22(28)30)23-21-26(14-8-15-27(18)21)17-11-9-16(10-12-17)24(2)3/h9-12H,5-8,13-15H2,1-4H3/q+2