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

Systemtic Name: tert-butyl N-methyl-N-[[6-oxidanylidene-7-(3-phenylpropyl)-3H-purin-2-yl]methyl]carbamate Openeye Name: tert-butyl N-methyl-N-[[6-oxo-7-(3-phenylpropyl)-3H-purin-2-yl]methyl]carbamate CAS Name: N-methyl-N-[[6-oxo-7-(3-phenylpropyl)-3H-purin-2-yl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-methyl-N-[[6-oxo-7-(3-phenylpropyl)-3H-purin-2-yl]methyl]carbamate Traditional Name: N-[[6-keto-7-(3-phenylpropyl)-3H-purin-2-yl]methyl]-N-methyl-carbamic acid tert-butyl ester Formula: C21H27N5O3 MolecularWeight: 397.47078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(C)CC1=NC(=O)C2=C(N1)N=CN2CCCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N(C)CC1=NC(=O)C2=C(N1)N=CN2CCCC3=CC=CC=C3

InChI

InChI=1S/C21H27N5O3/c1-21(2,3)29-20(28)25(4)13-16-23-18-17(19(27)24-16)26(14-22-18)12-8-11-15-9-6-5-7-10-15/h5-7,9-10,14H,8,11-13H2,1-4H3,(H,23,24,27)