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

Systemtic Name: potassium 7-[(4-methoxyphenyl)methyl]-6-oxidanylidene-1-prop-2-enyl-purin-2-olate Openeye Name: potassium 1-allyl-7-[(4-methoxyphenyl)methyl]-6-oxo-purin-2-olate CAS Name: potassium 7-[(4-methoxyphenyl)methyl]-6-oxo-1-prop-2-enyl-2-purinolate IUPAC Name: potassium 7-[(4-methoxyphenyl)methyl]-6-oxo-1-prop-2-enylpurin-2-olate Traditional Name: potassium 1-allyl-6-keto-7-p-anisyl-purin-2-olate Formula: C16H15KN4O3 MolecularWeight: 350.4136

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C=NC3=C2C(=O)N(C(=N3)[O-])CC=C.[K+]

Isomeric SMILES

COC1=CC=C(C=C1)CN2C=NC3=C2C(=O)N(C(=N3)[O-])CC=C.[K+]

InChI

InChI=1S/C16H16N4O3.K/c1-3-8-20-15(21)13-14(18-16(20)22)17-10-19(13)9-11-4-6-12(23-2)7-5-11;/h3-7,10H,1,8-9H2,2H3,(H,18,22);/q;+1/p-1