tert-butyl N-[2-(2-methylpropylamino)-6-phenethyl-pyrimidin-4-yl]-N-(phenylmethyl)carbamate

Systemtic Name: tert-butyl N-[2-(2-methylpropylamino)-6-phenethyl-pyrimidin-4-yl]-N-(phenylmethyl)carbamate Openeye Name: tert-butyl N-benzyl-N-[2-(isobutylamino)-6-phenethyl-pyrimidin-4-yl]carbamate CAS Name: N-[2-(2-methylpropylamino)-6-phenethyl-4-pyrimidinyl]-N-(phenylmethyl)carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-benzyl-N-[2-(2-methylpropylamino)-6-phenethylpyrimidin-4-yl]carbamate Traditional Name: N-benzyl-N-[2-(isobutylamino)-6-phenethyl-pyrimidin-4-yl]carbamic acid tert-butyl ester Formula: C28H36N4O2 MolecularWeight: 460.61104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=NC(=CC(=N1)N(CC2=CC=CC=C2)C(=O)OC(C)(C)C)CCC3=CC=CC=C3

Isomeric SMILES

CC(C)CNC1=NC(=CC(=N1)N(CC2=CC=CC=C2)C(=O)OC(C)(C)C)CCC3=CC=CC=C3

InChI

InChI=1S/C28H36N4O2/c1-21(2)19-29-26-30-24(17-16-22-12-8-6-9-13-22)18-25(31-26)32(27(33)34-28(3,4)5)20-23-14-10-7-11-15-23/h6-15,18,21H,16-17,19-20H2,1-5H3,(H,29,30,31)