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

Systemtic Name: 9-(4-dimethylaminophenyl)-1,7-dimethyl-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)-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione CAS Name: 9-(4-dimethylaminophenyl)-1,7-dimethyl-3-prop-2-enyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione IUPAC Name: 9-(4-dimethylaminophenyl)-1,7-dimethyl-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)-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-quinone Formula: C21H26N6O2+2 MolecularWeight: 394.47014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N6O2/c1-6-11-25-19(28)17-18(24(5)21(25)29)22-20-26(12-14(2)13-27(17)20)16-9-7-15(8-10-16)23(3)4/h6-10,14H,1,11-13H2,2-5H3/q+2