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

Systemtic Name: 1,7-dimethyl-3-phenacyl-9-(phenylmethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-dione Openeye Name: 9-benzyl-1,7-dimethyl-3-phenacyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-dione CAS Name: 1,7-dimethyl-3-phenacyl-9-(phenylmethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-dione IUPAC Name: 9-benzyl-1,7-dimethyl-3-phenacyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-dione Traditional Name: 9-benzyl-1,7-dimethyl-3-phenacyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-quinone Formula: C25H25N5O3+2 MolecularWeight: 443.4977

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[N+](=C2N=C3C(=[N+]2C1)C(=O)N(C(=O)N3C)CC(=O)C4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

CC1C[N+](=C2N=C3C(=[N+]2C1)C(=O)N(C(=O)N3C)CC(=O)C4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C25H25N5O3/c1-17-13-28(15-18-9-5-3-6-10-18)24-26-22-21(29(24)14-17)23(32)30(25(33)27(22)2)16-20(31)19-11-7-4-8-12-19/h3-12,17H,13-16H2,1-2H3/q+2