potassium 1-ethyl-7-[(4-methoxyphenyl)methyl]-3H-purine-2,6-dione

Systemtic Name: potassium 1-ethyl-7-[(4-methoxyphenyl)methyl]-3H-purine-2,6-dione Openeye Name: potassium 1-ethyl-7-[(4-methoxyphenyl)methyl]-3H-purine-2,6-dione CAS Name: potassium 1-ethyl-7-[(4-methoxyphenyl)methyl]-3H-purine-2,6-dione IUPAC Name: potassium 1-ethyl-7-[(4-methoxyphenyl)methyl]-3H-purine-2,6-dione Traditional Name: potassium 1-ethyl-7-p-anisyl-xanthine Formula: C15H16KN4O3+ MolecularWeight: 339.41084

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(NC1=O)N=CN2CC3=CC=C(C=C3)OC.[K+]

Isomeric SMILES

CCN1C(=O)C2=C(NC1=O)N=CN2CC3=CC=C(C=C3)OC.[K+]

InChI

InChI=1S/C15H16N4O3.K/c1-3-19-14(20)12-13(17-15(19)21)16-9-18(12)8-10-4-6-11(22-2)7-5-10;/h4-7,9H,3,8H2,1-2H3,(H,17,21);/q;+1