tert-butyl N-[6-(3-methylbutyl)-2-(2-methylpropylamino)pyrimidin-4-yl]-N-(phenylmethyl)carbamate

Systemtic Name: tert-butyl N-[6-(3-methylbutyl)-2-(2-methylpropylamino)pyrimidin-4-yl]-N-(phenylmethyl)carbamate Openeye Name: tert-butyl N-benzyl-N-[2-(isobutylamino)-6-isopentyl-pyrimidin-4-yl]carbamate CAS Name: N-[6-(3-methylbutyl)-2-(2-methylpropylamino)-4-pyrimidinyl]-N-(phenylmethyl)carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-benzyl-N-[6-(3-methylbutyl)-2-(2-methylpropylamino)pyrimidin-4-yl]carbamate Traditional Name: N-benzyl-N-[6-isoamyl-2-(isobutylamino)pyrimidin-4-yl]carbamic acid tert-butyl ester Formula: C25H38N4O2 MolecularWeight: 426.59482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1=CC(=NC(=N1)NCC(C)C)N(CC2=CC=CC=C2)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)CCC1=CC(=NC(=N1)NCC(C)C)N(CC2=CC=CC=C2)C(=O)OC(C)(C)C

InChI

InChI=1S/C25H38N4O2/c1-18(2)13-14-21-15-22(28-23(27-21)26-16-19(3)4)29(24(30)31-25(5,6)7)17-20-11-9-8-10-12-20/h8-12,15,18-19H,13-14,16-17H2,1-7H3,(H,26,27,28)