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

Systemtic Name: tert-butyl N-[2-chloranyl-6-(3-methylbutyl)pyrimidin-4-yl]-N-(phenylmethyl)carbamate Openeye Name: tert-butyl N-benzyl-N-(2-chloro-6-isopentyl-pyrimidin-4-yl)carbamate CAS Name: N-[2-chloro-6-(3-methylbutyl)-4-pyrimidinyl]-N-(phenylmethyl)carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-benzyl-N-[2-chloro-6-(3-methylbutyl)pyrimidin-4-yl]carbamate Traditional Name: N-benzyl-N-(2-chloro-6-isoamyl-pyrimidin-4-yl)carbamic acid tert-butyl ester Formula: C21H28ClN3O2 MolecularWeight: 389.91892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28ClN3O2/c1-15(2)11-12-17-13-18(24-19(22)23-17)25(20(26)27-21(3,4)5)14-16-9-7-6-8-10-16/h6-10,13,15H,11-12,14H2,1-5H3