(7R)-9-(3,5-dimethylphenyl)-1,7-dimethyl-3-[(2-methylphenyl)methyl]-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione

Systemtic Name: (7R)-9-(3,5-dimethylphenyl)-1,7-dimethyl-3-[(2-methylphenyl)methyl]-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione Openeye Name: (7R)-9-(3,5-dimethylphenyl)-1,7-dimethyl-3-(o-tolylmethyl)-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione CAS Name: (7R)-9-(3,5-dimethylphenyl)-1,7-dimethyl-3-[(2-methylphenyl)methyl]-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione IUPAC Name: (7R)-9-(3,5-dimethylphenyl)-1,7-dimethyl-3-[(2-methylphenyl)methyl]-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione Traditional Name: (7R)-9-(3,5-dimethylphenyl)-1,7-dimethyl-3-(2-methylbenzyl)-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-quinone Formula: C26H30N5O2+ MolecularWeight: 444.5487

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C2=[N+](C1)C3=C(N2)N(C(=O)N(C3=O)CC4=CC=CC=C4C)C)C5=CC(=CC(=C5)C)C

Isomeric SMILES

C[C@@H]1CN(C2=[N+](C1)C3=C(N2)N(C(=O)N(C3=O)CC4=CC=CC=C4C)C)C5=CC(=CC(=C5)C)C

InChI

InChI=1S/C26H29N5O2/c1-16-10-17(2)12-21(11-16)29-13-18(3)14-30-22-23(27-25(29)30)28(5)26(33)31(24(22)32)15-20-9-7-6-8-19(20)4/h6-12,18H,13-15H2,1-5H3/p+1/t18-/m1/s1