9-(4-tert-butylphenyl)-2-(4-ethoxy-3-methoxy-phenyl)-8-oxidanylidene-7H-purine-6-carboxamide

Systemtic Name: 9-(4-tert-butylphenyl)-2-(4-ethoxy-3-methoxy-phenyl)-8-oxidanylidene-7H-purine-6-carboxamide Openeye Name: 9-(4-tert-butylphenyl)-2-(4-ethoxy-3-methoxy-phenyl)-8-oxo-7H-purine-6-carboxamide CAS Name: 9-(4-tert-butylphenyl)-2-(4-ethoxy-3-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide IUPAC Name: 9-(4-tert-butylphenyl)-2-(4-ethoxy-3-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide Traditional Name: 9-(4-tert-butylphenyl)-2-(4-ethoxy-3-methoxy-phenyl)-8-keto-7H-purine-6-carboxamide Formula: C25H27N5O4 MolecularWeight: 461.51298

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=NC(=C3C(=N2)N(C(=O)N3)C4=CC=C(C=C4)C(C)(C)C)C(=O)N)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=NC(=C3C(=N2)N(C(=O)N3)C4=CC=C(C=C4)C(C)(C)C)C(=O)N)OC

InChI

InChI=1S/C25H27N5O4/c1-6-34-17-12-7-14(13-18(17)33-5)22-27-19(21(26)31)20-23(29-22)30(24(32)28-20)16-10-8-15(9-11-16)25(2,3)4/h7-13H,6H2,1-5H3,(H2,26,31)(H,28,32)