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

Systemtic Name: 9-(3,4-dimethylphenyl)-3-[(2,5-dimethylphenyl)methyl]-1-methyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione Openeye Name: 9-(3,4-dimethylphenyl)-3-[(2,5-dimethylphenyl)methyl]-1-methyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione CAS Name: 9-(3,4-dimethylphenyl)-3-[(2,5-dimethylphenyl)methyl]-1-methyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione IUPAC Name: 9-(3,4-dimethylphenyl)-3-[(2,5-dimethylphenyl)methyl]-1-methyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione Traditional Name: 3-(2,5-dimethylbenzyl)-9-(3,4-dimethylphenyl)-1-methyl-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:

CC1=CC(=C(C=C1)C)CN2C(=O)C3=C(NC4=[N+]3CCCN4C5=CC(=C(C=C5)C)C)N(C2=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)CN2C(=O)C3=C(NC4=[N+]3CCCN4C5=CC(=C(C=C5)C)C)N(C2=O)C

InChI

InChI=1S/C26H29N5O2/c1-16-7-8-18(3)20(13-16)15-31-24(32)22-23(28(5)26(31)33)27-25-29(11-6-12-30(22)25)21-10-9-17(2)19(4)14-21/h7-10,13-14H,6,11-12,15H2,1-5H3/p+1