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

Systemtic Name: 9-(4-dimethylaminophenyl)-1,7-dimethyl-3-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione Openeye Name: 9-(4-dimethylaminophenyl)-1,7-dimethyl-3-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione CAS Name: 9-(4-dimethylaminophenyl)-1,7-dimethyl-3-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione IUPAC Name: 9-(4-dimethylaminophenyl)-1,7-dimethyl-3-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione Traditional Name: 9-(4-dimethylaminophenyl)-1,7-dimethyl-3-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-quinone Formula: C26H30N6O2+2 MolecularWeight: 458.5554

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C2=NC3=[N+](C(=O)N(C(=O)C3=[N+]2C1)CCC4=CC=CC=C4)C)C5=CC=C(C=C5)N(C)C

Isomeric SMILES

CC1CN(C2=NC3=[N+](C(=O)N(C(=O)C3=[N+]2C1)CCC4=CC=CC=C4)C)C5=CC=C(C=C5)N(C)C

InChI

InChI=1S/C26H30N6O2/c1-18-16-31(21-12-10-20(11-13-21)28(2)3)25-27-23-22(32(25)17-18)24(33)30(26(34)29(23)4)15-14-19-8-6-5-7-9-19/h5-13,18H,14-17H2,1-4H3/q+2