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

Systemtic Name: (7R)-9-(4-methoxyphenyl)-1,7-dimethyl-3-[(4-methylphenyl)methyl]-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione Openeye Name: (7R)-9-(4-methoxyphenyl)-1,7-dimethyl-3-(p-tolylmethyl)-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione CAS Name: (7R)-9-(4-methoxyphenyl)-1,7-dimethyl-3-[(4-methylphenyl)methyl]-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione IUPAC Name: (7R)-9-(4-methoxyphenyl)-1,7-dimethyl-3-[(4-methylphenyl)methyl]-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione Traditional Name: (7R)-9-(4-methoxyphenyl)-1,7-dimethyl-3-(4-methylbenzyl)-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27N5O3/c1-16-5-7-18(8-6-16)15-30-23(31)21-22(27(3)25(30)32)26-24-28(13-17(2)14-29(21)24)19-9-11-20(33-4)12-10-19/h5-12,17H,13-15H2,1-4H3/p+1/t17-/m1/s1