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

Systemtic Name: (7R)-9-(3,4-dimethylphenyl)-3-[(2,5-dimethylphenyl)methyl]-1,7-dimethyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione Openeye Name: (7R)-9-(3,4-dimethylphenyl)-3-[(2,5-dimethylphenyl)methyl]-1,7-dimethyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione CAS Name: (7R)-9-(3,4-dimethylphenyl)-3-[(2,5-dimethylphenyl)methyl]-1,7-dimethyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione IUPAC Name: (7R)-9-(3,4-dimethylphenyl)-3-[(2,5-dimethylphenyl)methyl]-1,7-dimethyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione Traditional Name: (7R)-3-(2,5-dimethylbenzyl)-9-(3,4-dimethylphenyl)-1,7-dimethyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-quinone Formula: C27H32N5O2+ MolecularWeight: 458.57528

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C2=[N+](C1)C3=C(N2)N(C(=O)N(C3=O)CC4=C(C=CC(=C4)C)C)C)C5=CC(=C(C=C5)C)C

Isomeric SMILES

C[C@@H]1CN(C2=[N+](C1)C3=C(N2)N(C(=O)N(C3=O)CC4=C(C=CC(=C4)C)C)C)C5=CC(=C(C=C5)C)C

InChI

InChI=1S/C27H31N5O2/c1-16-7-8-19(4)21(11-16)15-32-25(33)23-24(29(6)27(32)34)28-26-30(13-17(2)14-31(23)26)22-10-9-18(3)20(5)12-22/h7-12,17H,13-15H2,1-6H3/p+1/t17-/m1/s1