methyl 6-(2,2-diphenylethylamino)-9-(oxan-2-yl)purine-2-carboxylate

Systemtic Name: methyl 6-(2,2-diphenylethylamino)-9-(oxan-2-yl)purine-2-carboxylate Openeye Name: methyl 6-(2,2-diphenylethylamino)-9-tetrahydropyran-2-yl-purine-2-carboxylate CAS Name: 6-(2,2-diphenylethylamino)-9-(2-oxanyl)-2-purinecarboxylic acid methyl ester IUPAC Name: methyl 6-(2,2-diphenylethylamino)-9-(oxan-2-yl)purine-2-carboxylate Traditional Name: 6-(2,2-diphenylethylamino)-9-tetrahydropyran-2-yl-purine-2-carboxylic acid methyl ester Formula: C26H27N5O3 MolecularWeight: 457.52428

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NC2=C(C(=N1)NCC(C3=CC=CC=C3)C4=CC=CC=C4)N=CN2C5CCCCO5

Isomeric SMILES

COC(=O)C1=NC2=C(C(=N1)NCC(C3=CC=CC=C3)C4=CC=CC=C4)N=CN2C5CCCCO5

InChI

InChI=1S/C26H27N5O3/c1-33-26(32)24-29-23(22-25(30-24)31(17-28-22)21-14-8-9-15-34-21)27-16-20(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-7,10-13,17,20-21H,8-9,14-16H2,1H3,(H,27,29,30)