3-methyl-7-phenacyl-8-(pyridin-1-ium-1-ylmethyl)purine-2,6-dione

Systemtic Name: 3-methyl-7-phenacyl-8-(pyridin-1-ium-1-ylmethyl)purine-2,6-dione Openeye Name: 3-methyl-7-phenacyl-8-(pyridin-1-ium-1-ylmethyl)purine-2,6-dione CAS Name: 3-methyl-7-phenacyl-8-(1-pyridin-1-iumylmethyl)purine-2,6-dione IUPAC Name: 3-methyl-7-phenacyl-8-(pyridin-1-ium-1-ylmethyl)purine-2,6-dione Traditional Name: 3-methyl-7-phenacyl-8-(pyridin-1-ium-1-ylmethyl)xanthine Formula: C20H18N5O3+ MolecularWeight: 376.38862

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)C[N+]3=CC=CC=C3)CC(=O)C4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)C[N+]3=CC=CC=C3)CC(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H17N5O3/c1-23-18-17(19(27)22-20(23)28)25(12-15(26)14-8-4-2-5-9-14)16(21-18)13-24-10-6-3-7-11-24/h2-11H,12-13H2,1H3/p+1