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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(C1=NC(=NC(=C1)CCC2=CC=CC=C2)NCC3=CC=CC=C3)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)CN(C1=NC(=NC(=C1)CCC2=CC=CC=C2)NCC3=CC=CC=C3)C(=O)OC(C)(C)C

InChI

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