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

Systemtic Name: 9-(4-dimethylaminophenyl)-1-methyl-3-prop-2-enyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione Openeye Name: 3-allyl-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-3-prop-2-enyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione IUPAC Name: 9-(4-dimethylaminophenyl)-1-methyl-3-prop-2-enyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione Traditional Name: 3-allyl-9-(4-dimethylaminophenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-quinone Formula: C20H24N6O2+2 MolecularWeight: 380.44356

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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)N(C1=O)CC=C

Isomeric SMILES

C[N+]1=C2C(=[N+]3CCCN(C3=N2)C4=CC=C(C=C4)N(C)C)C(=O)N(C1=O)CC=C

InChI

InChI=1S/C20H24N6O2/c1-5-11-26-18(27)16-17(23(4)20(26)28)21-19-24(12-6-13-25(16)19)15-9-7-14(8-10-15)22(2)3/h5,7-10H,1,6,11-13H2,2-4H3/q+2