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

Systemtic Name: 2-phenylbutyl N-[(2-cyanopyrimidin-4-yl)-(2-methylpropyl)amino]carbamate Openeye Name: 2-phenylbutyl N-[(2-cyanopyrimidin-4-yl)-isobutyl-amino]carbamate CAS Name: N-[(2-cyano-4-pyrimidinyl)-(2-methylpropyl)amino]carbamic acid 2-phenylbutyl ester IUPAC Name: 2-phenylbutyl N-[(2-cyanopyrimidin-4-yl)-(2-methylpropyl)amino]carbamate Traditional Name: N-[(2-cyanopyrimidin-4-yl)-isobutyl-amino]carbamic acid 2-phenylbutyl ester Formula: C20H25N5O2 MolecularWeight: 367.4448

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Descriptors Computed from Structure

Canonical SMILES:

CCC(COC(=O)NN(CC(C)C)C1=NC(=NC=C1)C#N)C2=CC=CC=C2

Isomeric SMILES

CCC(COC(=O)NN(CC(C)C)C1=NC(=NC=C1)C#N)C2=CC=CC=C2

InChI

InChI=1S/C20H25N5O2/c1-4-16(17-8-6-5-7-9-17)14-27-20(26)24-25(13-15(2)3)19-10-11-22-18(12-21)23-19/h5-11,15-16H,4,13-14H2,1-3H3,(H,24,26)