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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(C)CC1=NC(=O)C2=C(N1)N=CN2CCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N(C)CC1=NC(=O)C2=C(N1)N=CN2CCC3=CC=CC=C3

InChI

InChI=1S/C20H25N5O3/c1-20(2,3)28-19(27)24(4)12-15-22-17-16(18(26)23-15)25(13-21-17)11-10-14-8-6-5-7-9-14/h5-9,13H,10-12H2,1-4H3,(H,22,23,26)