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

Systemtic Name: ethyl 6-(2,2-diphenylethylamino)-9-(oxan-2-yl)purine-2-carboxylate Openeye Name: ethyl 6-(2,2-diphenylethylamino)-9-tetrahydropyran-2-yl-purine-2-carboxylate CAS Name: 6-(2,2-diphenylethylamino)-9-(2-oxanyl)-2-purinecarboxylic acid ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C27H29N5O3 MolecularWeight: 471.55086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29N5O3/c1-2-34-27(33)25-30-24(23-26(31-25)32(18-29-23)22-15-9-10-16-35-22)28-17-21(19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-8,11-14,18,21-22H,2,9-10,15-17H2,1H3,(H,28,30,31)