3-methyl-8-[(2-methylpyridin-1-ium-1-yl)methyl]-7-phenacyl-purine-2,6-dione

Systemtic Name: 3-methyl-8-[(2-methylpyridin-1-ium-1-yl)methyl]-7-phenacyl-purine-2,6-dione Openeye Name: 3-methyl-8-[(2-methylpyridin-1-ium-1-yl)methyl]-7-phenacyl-purine-2,6-dione CAS Name: 3-methyl-8-[(2-methyl-1-pyridin-1-iumyl)methyl]-7-phenacylpurine-2,6-dione IUPAC Name: 3-methyl-8-[(2-methylpyridin-1-ium-1-yl)methyl]-7-phenacylpurine-2,6-dione Traditional Name: 3-methyl-8-[(2-methylpyridin-1-ium-1-yl)methyl]-7-phenacyl-xanthine Formula: C21H20N5O3+ MolecularWeight: 390.4152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=[N+]1CC2=NC3=C(N2CC(=O)C4=CC=CC=C4)C(=O)NC(=O)N3C

Isomeric SMILES

CC1=CC=CC=[N+]1CC2=NC3=C(N2CC(=O)C4=CC=CC=C4)C(=O)NC(=O)N3C

InChI

InChI=1S/C21H19N5O3/c1-14-8-6-7-11-25(14)13-17-22-19-18(20(28)23-21(29)24(19)2)26(17)12-16(27)15-9-4-3-5-10-15/h3-11H,12-13H2,1-2H3/p+1