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

Systemtic Name: 3-[(2,5-dimethylphenyl)methyl]-9-(3-methoxyphenyl)-1-methyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione Openeye Name: 3-[(2,5-dimethylphenyl)methyl]-9-(3-methoxyphenyl)-1-methyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione CAS Name: 3-[(2,5-dimethylphenyl)methyl]-9-(3-methoxyphenyl)-1-methyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione IUPAC Name: 3-[(2,5-dimethylphenyl)methyl]-9-(3-methoxyphenyl)-1-methyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione Traditional Name: 3-(2,5-dimethylbenzyl)-9-(3-methoxyphenyl)-1-methyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-quinone Formula: C25H28N5O3+ MolecularWeight: 446.52152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27N5O3/c1-16-9-10-17(2)18(13-16)15-30-23(31)21-22(27(3)25(30)32)26-24-28(11-6-12-29(21)24)19-7-5-8-20(14-19)33-4/h5,7-10,13-14H,6,11-12,15H2,1-4H3/p+1