tert-butyl N-ethyl-N-[[6-oxidanylidene-7-(phenylmethyl)-3H-purin-2-yl]methyl]carbamate

Systemtic Name: tert-butyl N-ethyl-N-[[6-oxidanylidene-7-(phenylmethyl)-3H-purin-2-yl]methyl]carbamate Openeye Name: tert-butyl N-[(7-benzyl-6-oxo-3H-purin-2-yl)methyl]-N-ethyl-carbamate CAS Name: N-ethyl-N-[[6-oxo-7-(phenylmethyl)-3H-purin-2-yl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(7-benzyl-6-oxo-3H-purin-2-yl)methyl]-N-ethylcarbamate Traditional Name: N-[(7-benzyl-6-keto-3H-purin-2-yl)methyl]-N-ethyl-carbamic acid tert-butyl ester Formula: C20H25N5O3 MolecularWeight: 383.4442

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=NC(=O)C2=C(N1)N=CN2CC3=CC=CC=C3)C(=O)OC(C)(C)C

Isomeric SMILES

CCN(CC1=NC(=O)C2=C(N1)N=CN2CC3=CC=CC=C3)C(=O)OC(C)(C)C

InChI

InChI=1S/C20H25N5O3/c1-5-24(19(27)28-20(2,3)4)12-15-22-17-16(18(26)23-15)25(13-21-17)11-14-9-7-6-8-10-14/h6-10,13H,5,11-12H2,1-4H3,(H,22,23,26)