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

Systemtic Name: 3-butyl-9-(4-dimethylaminophenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione Openeye Name: 3-butyl-9-(4-dimethylaminophenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione CAS Name: 3-butyl-9-(4-dimethylaminophenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione IUPAC Name: 3-butyl-9-(4-dimethylaminophenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione Traditional Name: 3-butyl-9-(4-dimethylaminophenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-quinone Formula: C21H28N6O2+2 MolecularWeight: 396.48602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N6O2/c1-5-6-12-27-19(28)17-18(24(4)21(27)29)22-20-25(13-7-14-26(17)20)16-10-8-15(9-11-16)23(2)3/h8-11H,5-7,12-14H2,1-4H3/q+2