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

Systemtic Name: 9-(4-methoxyphenyl)-1,7-dimethyl-3-phenacyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione Openeye Name: 9-(4-methoxyphenyl)-1,7-dimethyl-3-phenacyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione CAS Name: 9-(4-methoxyphenyl)-1,7-dimethyl-3-phenacyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione IUPAC Name: 9-(4-methoxyphenyl)-1,7-dimethyl-3-phenacyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione Traditional Name: 9-(4-methoxyphenyl)-1,7-dimethyl-3-phenacyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-quinone Formula: C25H25N5O4+2 MolecularWeight: 459.4971

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C2=NC3=[N+](C(=O)N(C(=O)C3=[N+]2C1)CC(=O)C4=CC=CC=C4)C)C5=CC=C(C=C5)OC

Isomeric SMILES

CC1CN(C2=NC3=[N+](C(=O)N(C(=O)C3=[N+]2C1)CC(=O)C4=CC=CC=C4)C)C5=CC=C(C=C5)OC

InChI

InChI=1S/C25H25N5O4/c1-16-13-28(18-9-11-19(34-3)12-10-18)24-26-22-21(29(24)14-16)23(32)30(25(33)27(22)2)15-20(31)17-7-5-4-6-8-17/h4-12,16H,13-15H2,1-3H3/q+2