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

Systemtic Name: 9-(4-dimethylaminophenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione Openeye Name: 9-(4-dimethylaminophenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione CAS Name: 9-(4-dimethylaminophenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione IUPAC Name: 9-(4-dimethylaminophenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione Traditional Name: 9-(4-dimethylaminophenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-quinone Formula: C17H20N6O2+2 MolecularWeight: 340.3797

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C2C(=[N+]3CCCN(C3=N2)C4=CC=C(C=C4)N(C)C)C(=O)NC1=O

Isomeric SMILES

C[N+]1=C2C(=[N+]3CCCN(C3=N2)C4=CC=C(C=C4)N(C)C)C(=O)NC1=O

InChI

InChI=1S/C17H19N6O2/c1-20(2)11-5-7-12(8-6-11)22-9-4-10-23-13-14(18-16(22)23)21(3)17(25)19-15(13)24/h5-8H,4,9-10H2,1-3H3/q+1/p+1