9-(2-methoxyphenyl)-8-oxidanylidene-2-(1H-pyrazol-5-yl)-7H-purine-6-carboxamide

Systemtic Name: 9-(2-methoxyphenyl)-8-oxidanylidene-2-(1H-pyrazol-5-yl)-7H-purine-6-carboxamide Openeye Name: 9-(2-methoxyphenyl)-8-oxo-2-(1H-pyrazol-5-yl)-7H-purine-6-carboxamide CAS Name: 9-(2-methoxyphenyl)-8-oxo-2-(1H-pyrazol-5-yl)-7H-purine-6-carboxamide IUPAC Name: 9-(2-methoxyphenyl)-8-oxo-2-(1H-pyrazol-5-yl)-7H-purine-6-carboxamide Traditional Name: 8-keto-9-(2-methoxyphenyl)-2-(1H-pyrazol-5-yl)-7H-purine-6-carboxamide Formula: C16H13N7O3 MolecularWeight: 351.31952

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C3=NC(=NC(=C3NC2=O)C(=O)N)C4=CC=NN4

Isomeric SMILES

COC1=CC=CC=C1N2C3=NC(=NC(=C3NC2=O)C(=O)N)C4=CC=NN4

InChI

InChI=1S/C16H13N7O3/c1-26-10-5-3-2-4-9(10)23-15-12(20-16(23)25)11(13(17)24)19-14(21-15)8-6-7-18-22-8/h2-7H,1H3,(H2,17,24)(H,18,22)(H,20,25)