3-methyl-8-[(4-methylpyridin-1-ium-1-yl)methyl]-7-phenacyl-purine-2,6-dione

Systemtic Name: 3-methyl-8-[(4-methylpyridin-1-ium-1-yl)methyl]-7-phenacyl-purine-2,6-dione Openeye Name: 3-methyl-8-[(4-methylpyridin-1-ium-1-yl)methyl]-7-phenacyl-purine-2,6-dione CAS Name: 3-methyl-8-[(4-methyl-1-pyridin-1-iumyl)methyl]-7-phenacylpurine-2,6-dione IUPAC Name: 3-methyl-8-[(4-methylpyridin-1-ium-1-yl)methyl]-7-phenacylpurine-2,6-dione Traditional Name: 3-methyl-8-[(4-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=[N+](C=C1)CC2=NC3=C(N2CC(=O)C4=CC=CC=C4)C(=O)NC(=O)N3C

Isomeric SMILES

CC1=CC=[N+](C=C1)CC2=NC3=C(N2CC(=O)C4=CC=CC=C4)C(=O)NC(=O)N3C

InChI

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