3-[6-tert-butyl-2-(cyanoamino)pyrimidin-4-yl]-N-(4-chlorophenyl)propanamide

Systemtic Name: 3-[6-tert-butyl-2-(cyanoamino)pyrimidin-4-yl]-N-(4-chlorophenyl)propanamide Openeye Name: 3-[6-tert-butyl-2-(cyanoamino)pyrimidin-4-yl]-N-(4-chlorophenyl)propanamide CAS Name: 3-[6-tert-butyl-2-(cyanoamino)-4-pyrimidinyl]-N-(4-chlorophenyl)propanamide IUPAC Name: 3-[6-tert-butyl-2-(cyanoamino)pyrimidin-4-yl]-N-(4-chlorophenyl)propanamide Traditional Name: 3-[6-tert-butyl-2-(cyanoamino)pyrimidin-4-yl]-N-(4-chlorophenyl)propionamide Formula: C18H20ClN5O MolecularWeight: 357.8373

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=NC(=C1)CCC(=O)NC2=CC=C(C=C2)Cl)NC#N

Isomeric SMILES

CC(C)(C)C1=NC(=NC(=C1)CCC(=O)NC2=CC=C(C=C2)Cl)NC#N

InChI

InChI=1S/C18H20ClN5O/c1-18(2,3)15-10-14(23-17(24-15)21-11-20)8-9-16(25)22-13-6-4-12(19)5-7-13/h4-7,10H,8-9H2,1-3H3,(H,22,25)(H,21,23,24)