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

Systemtic Name: tert-butyl N-[[7-[(3-chlorophenyl)methyl]-6-oxidanylidene-3H-purin-2-yl]methyl]-N-methyl-carbamate Openeye Name: tert-butyl N-[[7-[(3-chlorophenyl)methyl]-6-oxo-3H-purin-2-yl]methyl]-N-methyl-carbamate CAS Name: N-[[7-[(3-chlorophenyl)methyl]-6-oxo-3H-purin-2-yl]methyl]-N-methylcarbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[7-[(3-chlorophenyl)methyl]-6-oxo-3H-purin-2-yl]methyl]-N-methylcarbamate Traditional Name: N-[[7-(3-chlorobenzyl)-6-keto-3H-purin-2-yl]methyl]-N-methyl-carbamic acid tert-butyl ester Formula: C19H22ClN5O3 MolecularWeight: 403.86268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22ClN5O3/c1-19(2,3)28-18(27)24(4)10-14-22-16-15(17(26)23-14)25(11-21-16)9-12-6-5-7-13(20)8-12/h5-8,11H,9-10H2,1-4H3,(H,22,23,26)