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

Systemtic Name: tert-butyl 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]carbamate CAS Name: 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]carbamate Traditional Name: N-[(7-benzyl-6-keto-3H-purin-2-yl)methyl]carbamic acid tert-butyl ester Formula: C18H21N5O3 MolecularWeight: 355.39104

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=NC(=O)C2=C(N1)N=CN2CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=NC(=O)C2=C(N1)N=CN2CC3=CC=CC=C3

InChI

InChI=1S/C18H21N5O3/c1-18(2,3)26-17(25)19-9-13-21-15-14(16(24)22-13)23(11-20-15)10-12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3,(H,19,25)(H,21,22,24)