potassium 7-[(4-methoxyphenyl)methyl]-1-(phenylmethyl)purin-3-ide-2,6-dione

Systemtic Name: potassium 7-[(4-methoxyphenyl)methyl]-1-(phenylmethyl)purin-3-ide-2,6-dione Openeye Name: potassium 1-benzyl-7-[(4-methoxyphenyl)methyl]purin-3-ide-2,6-dione CAS Name: potassium 7-[(4-methoxyphenyl)methyl]-1-(phenylmethyl)purin-3-ide-2,6-dione IUPAC Name: potassium 1-benzyl-7-[(4-methoxyphenyl)methyl]purin-3-ide-2,6-dione Traditional Name: potassium 1-benzyl-7-p-anisyl-purin-3-ide-2,6-quinone Formula: C20H17KN4O3 MolecularWeight: 400.47228

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C=NC3=C2C(=O)N(C(=O)[N-]3)CC4=CC=CC=C4.[K+]

Isomeric SMILES

COC1=CC=C(C=C1)CN2C=NC3=C2C(=O)N(C(=O)[N-]3)CC4=CC=CC=C4.[K+]

InChI

InChI=1S/C20H18N4O3.K/c1-27-16-9-7-15(8-10-16)11-23-13-21-18-17(23)19(25)24(20(26)22-18)12-14-5-3-2-4-6-14;/h2-10,13H,11-12H2,1H3,(H,22,25,26);/q;+1/p-1