potassium 7-[(4-methoxyphenyl)methyl]-6-oxidanylidene-1-(phenylmethyl)purin-2-olate

Systemtic Name: potassium 7-[(4-methoxyphenyl)methyl]-6-oxidanylidene-1-(phenylmethyl)purin-2-olate Openeye Name: potassium 1-benzyl-7-[(4-methoxyphenyl)methyl]-6-oxo-purin-2-olate CAS Name: potassium 7-[(4-methoxyphenyl)methyl]-6-oxo-1-(phenylmethyl)-2-purinolate IUPAC Name: potassium 1-benzyl-7-[(4-methoxyphenyl)methyl]-6-oxopurin-2-olate Traditional Name: potassium 1-benzyl-6-keto-7-p-anisyl-purin-2-olate 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(=N3)[O-])CC4=CC=CC=C4.[K+]

Isomeric SMILES

COC1=CC=C(C=C1)CN2C=NC3=C2C(=O)N(C(=N3)[O-])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,22,26);/q;+1/p-1