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

Systemtic Name: 3-ethyl-1,7-dimethyl-9-(phenylmethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-dione Openeye Name: 9-benzyl-3-ethyl-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-dione CAS Name: 3-ethyl-1,7-dimethyl-9-(phenylmethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-dione IUPAC Name: 9-benzyl-3-ethyl-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-dione Traditional Name: 9-benzyl-3-ethyl-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-quinone Formula: C19H23N5O2+2 MolecularWeight: 353.41822

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=[N+]3CC(C[N+](=C3N=C2N(C1=O)C)CC4=CC=CC=C4)C

Isomeric SMILES

CCN1C(=O)C2=[N+]3CC(C[N+](=C3N=C2N(C1=O)C)CC4=CC=CC=C4)C

InChI

InChI=1S/C19H23N5O2/c1-4-23-17(25)15-16(21(3)19(23)26)20-18-22(10-13(2)11-24(15)18)12-14-8-6-5-7-9-14/h5-9,13H,4,10-12H2,1-3H3/q+2