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

Systemtic Name: 1-methyl-3-phenacyl-9-(phenylmethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-dione Openeye Name: 9-benzyl-1-methyl-3-phenacyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-dione CAS Name: 1-methyl-3-phenacyl-9-(phenylmethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-dione IUPAC Name: 9-benzyl-1-methyl-3-phenacyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-dione Traditional Name: 9-benzyl-1-methyl-3-phenacyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-quinone Formula: C24H23N5O3+2 MolecularWeight: 429.47112

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=NC3=[N+](CCC[N+]3=C2C(=O)N(C1=O)CC(=O)C4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

CN1C2=NC3=[N+](CCC[N+]3=C2C(=O)N(C1=O)CC(=O)C4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C24H23N5O3/c1-26-21-20(22(31)29(24(26)32)16-19(30)18-11-6-3-7-12-18)28-14-8-13-27(23(28)25-21)15-17-9-4-2-5-10-17/h2-7,9-12H,8,13-16H2,1H3/q+2