tert-butyl N-methyl-N-[4-[6-oxidanylidene-7-(phenylmethyl)-3H-purin-2-yl]phenyl]carbamate

Systemtic Name: tert-butyl N-methyl-N-[4-[6-oxidanylidene-7-(phenylmethyl)-3H-purin-2-yl]phenyl]carbamate Openeye Name: tert-butyl N-[4-(7-benzyl-6-oxo-3H-purin-2-yl)phenyl]-N-methyl-carbamate CAS Name: N-methyl-N-[4-[6-oxo-7-(phenylmethyl)-3H-purin-2-yl]phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-(7-benzyl-6-oxo-3H-purin-2-yl)phenyl]-N-methylcarbamate Traditional Name: N-[4-(7-benzyl-6-keto-3H-purin-2-yl)phenyl]-N-methyl-carbamic acid tert-butyl ester Formula: C24H25N5O3 MolecularWeight: 431.487

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(C)C1=CC=C(C=C1)C2=NC(=O)C3=C(N2)N=CN3CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N(C)C1=CC=C(C=C1)C2=NC(=O)C3=C(N2)N=CN3CC4=CC=CC=C4

InChI

InChI=1S/C24H25N5O3/c1-24(2,3)32-23(31)28(4)18-12-10-17(11-13-18)20-26-21-19(22(30)27-20)29(15-25-21)14-16-8-6-5-7-9-16/h5-13,15H,14H2,1-4H3,(H,26,27,30)