2-methylhexan-2-yl N-[(2-cyanopyrimidin-4-yl)-(2-methylpropyl)amino]carbamate

Systemtic Name: 2-methylhexan-2-yl N-[(2-cyanopyrimidin-4-yl)-(2-methylpropyl)amino]carbamate Openeye Name: 1,1-dimethylpentyl N-[(2-cyanopyrimidin-4-yl)-isobutyl-amino]carbamate CAS Name: N-[(2-cyano-4-pyrimidinyl)-(2-methylpropyl)amino]carbamic acid 2-methylhexan-2-yl ester IUPAC Name: 2-methylhexan-2-yl N-[(2-cyanopyrimidin-4-yl)-(2-methylpropyl)amino]carbamate Traditional Name: N-[(2-cyanopyrimidin-4-yl)-isobutyl-amino]carbamic acid 1,1-dimethylpentyl ester Formula: C17H27N5O2 MolecularWeight: 333.42858

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(C)OC(=O)NN(CC(C)C)C1=NC(=NC=C1)C#N

Isomeric SMILES

CCCCC(C)(C)OC(=O)NN(CC(C)C)C1=NC(=NC=C1)C#N

InChI

InChI=1S/C17H27N5O2/c1-6-7-9-17(4,5)24-16(23)21-22(12-13(2)3)15-8-10-19-14(11-18)20-15/h8,10,13H,6-7,9,12H2,1-5H3,(H,21,23)